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(3-Methylbutyl)-p-toluate

View entire compound with spectra: 5 MS (GC)

(3-Methylbutyl)-p-toluate
SpectraBase Compound ID 4Raa7ewRp8R
InChI InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKey WDNOGGRIGNCXKH-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 B1IzqFPiCjQ
Name Benzoic acid, 4-methyl, 3-methylbutyl ester
Alternate Name(s) 3-Methylbutyl 4-methylbenzoate 4-Methylbenzoic acid 3-methylbutyl ester 4-Methylbenzoic acid isoamyl ester Isopentyl 4-methylbenzoate p-Toluic acid, 3-methylbutyl ester
CAS Registry Number 331810-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKey WDNOGGRIGNCXKH-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES Cc1ccc(cc1)C(=O)OCCC(C)C
SPLASH splash10-014u-9600000000-352c714d7c69a10293d7
Wiley ID 1494114