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Benzoic acid, 3-hydroxy-, 1-methylethyl ester

View entire compound with spectra: 2 MS (GC)

Benzoic acid, 3-hydroxy-, 1-methylethyl ester
SpectraBase Compound ID HoIzVGaCzSo
InChI InChI=1S/C10H12O3/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7,11H,1-2H3
InChIKey VANDBVAFPVUVNX-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 69rFJAN2SAk
Name Benzoic acid, 3-hydroxy-, 1-methylethyl ester
CAS Registry Number 53631-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7,11H,1-2H3
InChIKey VANDBVAFPVUVNX-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES Oc1cccc(c1)C(=O)OC(C)C
SPLASH splash10-00dr-4900000000-d898d5fbd157951c45e9
Synonyms Isopropyl 3-hydroxybenzoate 3-Hydroxybenzoic acid isopropyl ester 3-Hydroxybenzoic acid propan-2-yl ester Propan-2-yl 3-hydroxybenzoate Propan-2-yl 3-oxidanylbenzoate
Wiley ID 1489316