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isobutyric acid, isopentyl ester
SpectraBase Compound ID JXIcOT8DSP9
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFNv1z29ict
Name Isoamyl isobutyrate
CAS Registry Number 2050-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
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/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(OCCC(C)C)(C(C)C)=O
SPLASH splash10-00dl-9000000000-1d9a1900563a4f7cb87f
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887534