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VZHHCQFCDCJKIX-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 7 MS (GC)

VZHHCQFCDCJKIX-UHFFFAOYSA-N
SpectraBase Compound ID BPRXZByZBrh
InChI InChI=1S/C10H12O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKey VZHHCQFCDCJKIX-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bwFXt5EWW
Name Benzenepropanoic acid, .beta.-hydroxy-, methyl ester
CAS Registry Number 7497-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKey VZHHCQFCDCJKIX-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES OC(CC(=O)OC)c1ccccc1
SPLASH splash10-056r-7900000000-c5a9d0463af1770f35a4
Source of Spectrum AT-44-8219-2
Synonyms 3-Hydroxy-3-phenyl-propionic acid methyl ester Methyl 3-hydroxy-3-phenylpropionate Methyl 3-hydroxy-3-phenylpropanoate 3-Hydroxy-3-phenylpropanoic acid methyl ester Methyl 3-hydroxy-3-phenyl-propanoate Methyl 3-oxidanyl-3-phenyl-propanoate
Wiley ID 1621729