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2-Methyl-butyric acid, isopropyl ester
SpectraBase Compound ID D5gG9NR8DG7
InChI InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
InChIKey DIRDKDDFAMNBNY-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGaQhvZ1McD
Name Isopropyl-2-methyl butyrate
CAS Registry Number 66576-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
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/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
InChIKey DIRDKDDFAMNBNY-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
SMILES CCC(C(OC(C)C)=O)C
SPLASH splash10-0a4l-9100000000-0926f8e59feaf0a121a8
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887560