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METHYL-(3,4,5-TRIMETHYL)-BENZOATE
SpectraBase Compound ID 1dlB1HOATW2
InChI InChI=1S/C11H14O2/c1-7-5-10(11(12)13-4)6-8(2)9(7)3/h5-6H,1-4H3
InChIKey MMOVUCSZRKTFNP-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 Gj5zr6kWqbD
Name 3,4,5-trimethylbenzoic acid methyl ester
CAS Registry Number 13544-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-7-5-10(11(12)13-4)6-8(2)9(7)3/h5-6H,1-4H3
InChIKey MMOVUCSZRKTFNP-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES c1(C(=O)OC)cc(C)c(c(c1)C)C
SPLASH splash10-002b-2900000000-efce0246732588ba8041
Source of Spectrum J-51-4547-0
Synonyms Methyl 3,4,5-trimethylbenzoate
Wiley ID 1174340