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Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester
SpectraBase Compound ID AIKev8ir2rZ
InChI InChI=1S/C13H18O2/c1-9(2)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3
InChIKey UWWVEOGQBMAWBE-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnBYBQkctTn
Name Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester
Alternate Name(s) 1,2-Dimethylpropyl 4-methylbenzoate 3-Methylbutan-2-yl 4-methylbenzoate 4-Methylbenzoic acid 1,2-dimethylpropyl ester 4-Methylbenzoic acid 3-methylbutan-2-yl ester
CAS Registry Number 212261-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(2)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3
InChIKey UWWVEOGQBMAWBE-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES Cc1ccc(cc1)C(=O)OC(C(C)C)C
SPLASH splash10-014i-9700000000-f276ba69d0a04e59bcc0
Wiley ID 1494108