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Benzenebutanoic acid, .beta.,3,4-trimethyl-, methyl ester
SpectraBase Compound ID EmC6dhuXtV5
InChI InChI=1S/C14H20O2/c1-10(8-14(15)16-4)7-13-6-5-11(2)12(3)9-13/h5-6,9-10H,7-8H2,1-4H3
InChIKey UBVVFPPCOUVTRD-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBuqAzHi3Ie
Name Benzenebutanoic acid, .beta.,3,4-trimethyl-, methyl ester
Alternate Name(s) Methyl 4-(3,4-dimethylphenyl)-3-methylbutanoate 4-(3,4-dimethylphenyl)-3-methyl-butyric acid methyl ester 4-(3,4-dimethylphenyl)-3-methylbutanoic acid methyl ester
CAS Registry Number 69855-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-10(8-14(15)16-4)7-13-6-5-11(2)12(3)9-13/h5-6,9-10H,7-8H2,1-4H3
InChIKey UBVVFPPCOUVTRD-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES Cc1ccc(cc1C)CC(C)CC(=O)OC
SPLASH splash10-0002-4900000000-f30ea05454299505e663
Source of Spectrum AA-0-1561-2
Wiley ID 28365