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Hydratropic acid

View entire compound with spectra: 4 NMR, 8 FTIR, 1 Raman, 12 MS (GC), and 2 Near IR

Hydratropic acid
SpectraBase Compound ID 7rVvO9V5Tdl
InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey YPGCWEMNNLXISK-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfTBkS3O8ig
Name 2-Phenylpropionsaeure
CAS Registry Number 492-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey YPGCWEMNNLXISK-UHFFFAOYSA-N
Molecular Weight 150.177 g/mol
SMILES OC(C(c1ccccc1)C)=O
SPLASH splash10-0a6r-8900000000-4f88210b98ea5cd1a241
Source of Spectrum W6-7482-0-0
Synonyms Benzeneacetic acid, .alpha.-methyl- .alpha.-Methylbenzeneacetic acid .alpha.-Methylphenylacetic acid .alpha.-Phenylpropionic acid 2-Phenylpropanoic acid 2-Phenylpropionic acid Benzeneacetic acid, .alpha.-methyl-, (R)- Benzeneacetic acid, .alpha.-methyl-, (S)- Methylphenylacetate dl-.alpha.-Phenylpropionic acid Hydratropic acid Propanoic acid, 2-phenyl EINECS 207-752-0 NSC 42872
Wiley ID 83618