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

*Links on SpectraBase are not permalinks.

4-Oxo-5-phenylpentanoic Acid

Compound with spectra: 1 NMR, and 1 MS (GC)

4-Oxo-5-phenylpentanoic Acid
SpectraBase Compound ID 7lRtKwdVLWO
InChI InChI=1S/C11H12O3/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
InChIKey LTNSOYZGFPWHOF-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

View Spectrum of 4-Oxo-5-phenylpentanoic Acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum U1-2012-2436-9

View Spectrum of 4-Oxo-5-phenylpentanoic Acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
1-Phenylhexane-2,5-dione
1,6-Diphenyl-2,5-hexanedione
5-Hydroxy-1-phenyl-2-pentanone
1-Phenyl-2-hexanone
5-Chloranyl-1-phenyl-pentan-2-one
1-Phenylhex-5-en-2-one
2-Octanone, 1-phenyl-
1-Phenyl-2-nonanone
4-Hydroxy-1-phenylpentan-2-one
CH2=C(CH3)CH2COCH2PH;4-METHYL-2-OXO-1-PHENYL-4-PENTENE
Title Journal or Book Year
Lipase-Catalyzed Kinetic Resolution of 2-Phenylethanol Derivatives and Chiral Oxa-Pictet-Spengler Reaction as the Key Steps in the Synthesis of Enantiomerically Pure Tricyclic Amines European Journal of Organic Chemistry 2012

Wiley Registry of Mass Spectral Data 12th Edition
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.

NIST/EPA/NIH Mass Spectral Library 2020
Author: NIST

NIST/EPA/NIH 2020 is a trusted source of mass spectral data and software tools. Wiley's NIST 2020 contains the complete NIST software suite as well as the various NIST libraries in NIST and native manufacturer formats to enable access to advanced search, analysis, and reporting methods found in the original and legacy manufacturer software systems. Learn more.

NIST/EPA/NIH MS/MS Mass Spectral Library 2020 HR
Author: NIST

The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.

NIST/EPA/NIH MS/MS Mass Spectral Library 2020 LR
Author: NIST

The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, 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.