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Benzoic acid, 3-(3-hydroxy-1-propynyl)-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 3-(3-hydroxy-1-propynyl)-, ethyl ester
SpectraBase Compound ID GhNUmoBew8m
InChI InChI=1S/C12H12O3/c1-2-15-12(14)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,2,8H2,1H3
InChIKey ZREQTSCTALYAFT-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTHaCuiPVro
Name Benzoic acid, 3-(3-hydroxy-1-propynyl)-, ethyl ester
CAS Registry Number 114837-79-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-2-15-12(14)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,2,8H2,1H3
InChIKey ZREQTSCTALYAFT-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES OCC#Cc1cc(C(=O)OCC)ccc1
SPLASH splash10-0kai-1910000000-2b519531ed022cd1b46e
Source of Spectrum J-53-3217-39
Synonyms Ethyl 3-(3-hydroxy-1-propynyl)benzoate Ethyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate Ethyl 3-(3-hydroxyprop-1-ynyl)benzoate Ethyl 3-(3-oxidanylprop-1-ynyl)benzoate
Wiley ID 1201826