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Butanoic acid, 2-methyl-, 4-methylpentyl ester
SpectraBase Compound ID 2rwKBWEbhp2
InChI InChI=1S/C11H22O2/c1-5-10(4)11(12)13-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
InChIKey RMXBPCDIHPZCQB-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kFrlS0tX03
Name Butanoic acid, 2-methyl-4-methylpentyl ester
CAS Registry Number 35852-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C11H22O2/c1-5-10(4)11(12)13-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
InChIKey RMXBPCDIHPZCQB-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(C(CC)C)(=O)OCCCC(C)C
SPLASH splash10-052f-9100000000-37aeb949c1f1fdc8c155
Source ex VASU DEV
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887215