Methoxybenzene

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SpectraBase Compound ID	HB4DMFeGv80
InChI	InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey	RDOXTESZEPMUJZ-UHFFFAOYSA-N Google Search
Mol Weight	108.14 g/mol
Molecular Formula	C7H8O
Exact Mass	108.057515 g/mol

Copyright	Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum	Bio-Rad Laboratories, Inc.
Catalog Number	A12997

Copyright	Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number	123226

Copyright	Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum	Bio-Rad Laboratories, Inc.
Catalog Number	A12997

Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

Copyright	Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Sigma-Aldrich
Catalog Number	123226

Copyright	Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Sigma-Aldrich
Catalog Number	296295

Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	The Matheson Company, Inc., East Rutherford, New Jersey
Technique	CAPILLARY CELL: NEAT

Copyright	Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum	Bio-Rad Laboratories, Inc.
Catalog Number	A12997
Technique	Neat

Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Sample	Merck-Schuchardt Hohenbrunn
Technique	KBr-Pellet

Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique	Cell

Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Sample	Riedel de Haen
Technique	Layer between KBr

Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Matheson Gas Products
Technique	NEAT

Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	The Matheson Company, Inc., East Rutherford, New Jersey
Technique	CAPILLARY CELL: NEAT

Copyright	Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Sigma-Aldrich Co. LLC.
Source of Spectrum	Sigma-Aldrich Co. LLC.
Catalog Number	W209708
Technique	Between salts

Copyright	Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent	CDCl3; Reference=TMS; Temperature 297K

Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent	CDCl3

Copyright	Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent	CCl4

Copyright	Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Sigma-Aldrich Co. LLC.
Source of Spectrum	Sigma-Aldrich Co. LLC.
Catalog Number	123226
Solvent	CDCl3

Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

Copyright	Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Sigma-Aldrich
Source of Spectrum	Sigma-Aldrich Co. LLC.
Catalog Number	123226

Copyright	Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample	Sigma-Aldrich Co. LLC.
Source of Spectrum	Sigma-Aldrich Co. LLC.
Catalog Number	123226

Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum	Prof. Buback, University of Goettingen, Germany

Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum	Prof. Buback, University of Goettingen, Germany

Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany

Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany

Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany

Copyright	Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum	DigiLab GmbH (C) 2024
Technique	GC/MS

Copyright	Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum	Adams' Essential Oil Components (GC-MS), Version 4

Copyright	Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample	SAFC Cat.no. W209708
Source of Spectrum	Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	SRH-2022-9170-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	AA-0-337-1

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	HE-1986-558-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	XW-10-1472-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	CCC-15-SM18-1a (DOI: 10.1002/cctc.202201388)

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	SRH-2022-1826-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	SRH-2022-4694-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	AOC-34-SM6-Anisole

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	U1-2019-673-673-1

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	CSC-15-SM3-Anisole

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	Adams' Essential Oil Components (GC-MS), Version 4

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	Va-0-0-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	Va-0-0-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	SK-28-3034-2

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	NW-1279-0-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	PR-521-0-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	AA-0-337-3

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	EP-7060-0-0

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	O-30-797-0

Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent	Unknown

Title	Journal or Book	Year
Solutes in sulfuric acid. Part VIII. Protonation of phenol, 4-fluorophenol and the 2- and 4-sulfonates of anisole and phenol in concentrated aqueous sulfuric acid; determination of pKa values by means of 13C NMR	Recueil des Travaux Chimiques des Pays-Bas	2010
1H and13C NMR data to aid the identification and quantification of residual solvents by NMR spectroscopy	Magnetic Resonance in Chemistry	2005
13C chemical shifts in the aryl complexes PdX(p-RC6H4)(TMEDA). Is the PdX(TMEDA) fragment a substantial π-donor?	Magnetic Resonance in Chemistry	1999
Solid-state structure of 1,2-dimethoxybenzene (veratrole) and related methoxybenzenes. X-Ray crystallography and 13C nuclear magnetic resonance tensor analysis	Journal of the Chemical Society, Perkin Transactions 2	1996
Interaction of anisole and thioanisole with the nitrosonium cation: π-vs. n-complex formation	J. Chem. Soc., Perkin Trans. 2	1995
Interpretation of substituent-induced chemical shifts in13C NMR spectra of 2-substituted norbornadienes. Influence of homoconjugation	Magnetic Resonance in Chemistry	1995
15N NMR: Substituent effect analysis inpara-andmeta-substituted phenylhydrazines	Magnetic Resonance in Chemistry	1994
13C and17O NMR study of methoxy groups in chlorinated Di- and trimethoxybenzenes	Magnetic Resonance in Chemistry	1990
Ab initio and oxygen-17 NMR study of aromatic compounds with dicoordinate oxygen atoms. 1. Methoxy- and (methylenedioxy)benzene derivatives	The Journal of Physical Chemistry	1990
Study of intramolecular hydrogen bonding ino-anisic acid ando-anisamide by17O NMR andAb initio MO calculations	Magnetic Resonance in Chemistry	1988
Enhancement of the resonance interaction of out-of-plane methoxy groups by ortho-substituents in crowded anisoles	The Journal of Organic Chemistry	1988
17O NMR study of chlorinated anisoles	Magnetic Resonance in Chemistry	1988
Steric effects in the17O NMR spectroscopy of aromatic methyl ethers	Magnetic Resonance in Chemistry	1987
Natural abundance17O NMR spectra of coumarins, furocoumarins and related compounds	Magnetic Resonance in Chemistry	1987
Molecular orbital calculations and carbon-13 NMR studies to explain a regiospecific demethylation of 3-alkyl-1,2-dimethoxybenzenes	The Journal of Organic Chemistry	1984
Substituent effects on the N.M.R. spectra of carboxylic acid derivatives. III. Correlation of 13C N.M.R. spectra of para substituted acetanilides and 4'-nitrophenyl 4-substituted benzoates with infrared carbonyl stretching frequencies, 1H N.M.R., rate and equilibrium data	Australian Journal of Chemistry	1984
13C,77Se and125Te NMR inortho-halogenated seleno- and telluro-phenetoles	Organic Magnetic Resonance	1984
17O NMR investigation ofp,π-interactions in α,β-unsaturated and aromatic ethers	Organic Magnetic Resonance	1982
	The Journal of Organic Chemistry	1980
Substituent effect treatment of interactions between contiguous functionalities G-X. 2. Remote response to polar-inductive and mesomeric influence of X on G = -O- and -NH-	The Journal of Organic Chemistry	1980
17O nuclear magnetic resonance:mutual effect between two β oxygen atoms and α,β double bond effect on 17O chemical shift	Tetrahedron	1980
Oxygen-17 Nuclear Magnetic Resonance. III. Oxygen Atoms with a Coordination Number of Two	Bulletin of the Chemical Society of Japan	1979
¹⁷O Nuclear Magnetic Resonance Studies. V.¹⁷O Shieldings of Some Substituted Anisoles	Bulletin of the Chemical Society of Japan	1979
13C substituent effects in monosubstituted benzenes	Organic Magnetic Resonance	1979
Carbon-13 NMR studies of a series of benzylphenols	Organic Magnetic Resonance	1978
13C magnetic resonance studies of reduced proaporphine alkaloids	Organic Magnetic Resonance	1977
Chemische Verschiebungen in der kernmagnetischen Resonanz von17O in organischen Verbindungen	Helvetica Chimica Acta	1961
10.1002/(sici)1097-458x(199706)35:6<351::aid-omr6>3.3.co;2-k	""	""

Compound with spectra: 131 NMR, 16 FTIR, 2 Raman, 27 MS (GC), and 2 Near IR