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Benzyl 4-methylpentanoate
SpectraBase Compound ID BT3PpKaHKPt
InChI InChI=1S/C13H18O2/c1-11(2)8-9-13(14)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey KJKCIICZTUCIGK-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 5zHiY1HoIR4
Name Benzyl 4-methylpentanoate
Alternate Name(s) (phenylmethyl) 4-methylpentanoate 4-Methylpentanoic acid (phenylmethyl) ester 4-Methylvaleric acid benzyl ester Pentanoic acid, 4-methyl-, phenylmethyl ester
CAS Registry Number 77509-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-11(2)8-9-13(14)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey KJKCIICZTUCIGK-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES CC(C)CCC(=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-1e0ea246b4bb917ad04f
Source of Spectrum W5-0-0-0
Wiley ID 1204618