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beta-Hydroxy-alpha-methylhydrocinnamic acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

beta-Hydroxy-alpha-methylhydrocinnamic acid, ethyl ester
SpectraBase Compound ID 8KMXdmRWmNp
InChI InChI=1S/C12H16O3/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3
InChIKey DBYGIIOOKKCUKJ-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EvQL4zyq4KR
Name beta-Hydroxy-alpha-methylhydrocinnamic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3
InChIKey DBYGIIOOKKCUKJ-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES OC(C1=CC=CC=C1)C(C(OCC)=O)C
Spectrum/Structure Validation Score (Raman) 0.975584