For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

Compound with spectra: 7 NMR

2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)
SpectraBase Compound ID 9Xiiao41opO
InChI InChI=1S/C10H12O2S/c1-13-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8H,6-7H2,1H3
InChIKey CUYRRUCBYVBKAW-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHClF2

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHClF2

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHClF2

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHClF2

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIMETHYLETHER

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIMETHYLETHER

View Spectrum of 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIMETHYLETHER
  • 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(TB)
  • 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE
  • 2H-2,3-DIHYDRO-3-METHYLTHIO-1,5-BENZODIOXEPINE;KONFORMER-(CA)
3-Methoxy-1,5-benzodioxepin
3-(2-isobutoxyphenoxy)-1,2-propanediol
Guaifenesin
1-amino-3-(2-methoxyphenoxy)propan-2-ol
3,3-DIMETHYL-1,5-BENZODIOXEPIN;(CHAIR-CONFORMATION)
3,3'-(4H,4'H)-spirobi[2H-1,5-benzodioxepin]
DEMETHYLGUAIFENESIN-1TMS 2
(o-Methoxy)phenoxyacetaldehyde diethyl acetal
1-allyloxy-2-butoxybenzene
1-allyloxy-2-isopentoxybenzene
Title Journal or Book Year
Repulsive gauche conformational effect. Analysis of seven-membered rings containing endo and exo sulfur atoms Canadian Journal of Chemistry 1990

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.