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Hexanoic acid isobutyl ester
SpectraBase Compound ID 6rV34nbm0ks
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVGAJDvg2HZ
Name Isobutyl hexanoate
CAS Registry Number 105-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
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/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(OCC(C)C)(CCCCC)=O
SPLASH splash10-052g-9100000000-449ec9264ade105536fd
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887544