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

*Links on SpectraBase are not permalinks.

Methyl-[2-2H]-mandelate

Compound with spectra: 5 NMR, 1 FTIR, and 1 Raman

Methyl-[2-2H]-mandelate
SpectraBase Compound ID GFY6c0FBG9u
InChI InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
InChIKey HYOWVAAEQCNGLE-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

View Spectrum of Methyl-[2-2H]-mandelate

Raman Spectrum
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of Methyl-[2-2H]-mandelate

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of Methyl-[2-2H]-mandelate

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD

View Spectrum of Methyl-[2-2H]-mandelate

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O

View Spectrum of Methyl-[2-2H]-mandelate

13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 286656
Solvent D2O & DCl

View Spectrum of Methyl-[2-2H]-mandelate

ATR-IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 286656

View Spectrum of Methyl-[2-2H]-mandelate

1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 286656
Solvent D2O & DCl
  • (R)-2-AMINO-2-METHYL-3-PHENYL-PROPANOIC-ACID
  • [2-2H]MANDELIC-ACID
  • alpha-Methyl-DL-phenylalanine
  • (+/-)-2-Amino-2-methyl-3-phenylpropionic acid
(2R)-2-amino-2-methyl-3-phenyl-propanoic acid
(R)-ALPHA-METHYLPHENYLALANINE
Floralozone acid
Benzenepropanoic acid, 4-chloro-alpha,alpha-dimethyl-; p-chloro-alpha,alpha-dimethylhydrocinnamic acid
1-Phenyl-2-acetyl-2-propanol
3-Chloro-3-methyl-4-phenyl-2-butanone
2-(dimethylamino)-3-phenyl-propionic acid
N,N-Dimethyl-L-phenylalanine
(2R)-2-(ethylamino)-3-phenyl-propanoic acid
(2S)-2-(ethylamino)-3-phenyl-propanoic acid
Title Journal or Book Year
Optical Resolution by Preferential Crystallization of (RS)-2-Benzoylamino-2-benzyl-3-hydroxypropanoic Acid and Its Use in Synthesizing Optically Active 2-Amino-2-methyl-3-phenylpropanoic Acid. Chemical and Pharmaceutical Bulletin 2002
Biosynthetic Studies of ω-Cycloheptyl Fatty Acids in Alicyclobacillus cycloheptanicus. Formation of Cycloheptanecarboxylic Acid from Phenylacetic Acid The Journal of Organic Chemistry 1997
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.