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Benzoic acid isopropyl ester
SpectraBase Compound ID IIiqLhO0hHM
InChI InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey FEXQDZTYJVXMOS-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97PZy6NypNQ
Name Benzoic acid, 1-methylethyl ester
CAS Registry Number 939-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey FEXQDZTYJVXMOS-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES c1cccc(c1)C(=O)OC(C)C
SPLASH splash10-0a4i-6900000000-d6329035bbd7aa9f607f
Source of Spectrum IC-306-0-0
Synonyms 1-Methylethyl benzoate Benzoic acid, isopropyl ester benzoic acid propan-2-yl ester Isopropyl benzoate Isopropylester kyseliny benzoove Propan-2-yl benzoate AI3-01132 BRN 2044384 EINECS 213-361-6 FEMA NO. 2932
Wiley ID 1160221