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Benzoic acid, 2,4,5-trimethyl-, methyl ester
SpectraBase Compound ID BTbvvCYlQ3Q
InChI InChI=1S/C11H14O2/c1-7-5-9(3)10(6-8(7)2)11(12)13-4/h5-6H,1-4H3
InChIKey DPELCYPYLWXHAP-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYrgUhJyTOy
Name Benzoic acid, 2,4,5-trimethyl-, methyl ester
CAS Registry Number 51664-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-7-5-9(3)10(6-8(7)2)11(12)13-4/h5-6H,1-4H3
InChIKey DPELCYPYLWXHAP-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES Cc1cc(C)c(cc1C)C(=O)OC
SPLASH splash10-0002-2900000000-af5710212f1b8f6a96cb
Source of Spectrum Va-0-0-0
Synonyms Methyl 2,4,5-trimethylbenzoate
Wiley ID 742466