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Isovaleric acid
SpectraBase Compound ID 5glfD3OBiMq
InChI InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey GWYFCOCPABKNJV-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RFujwC3Z5s
Name Isovaleric acid
CAS Registry Number 503-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10O2
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/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey GWYFCOCPABKNJV-UHFFFAOYSA-N
Molecular Weight 102.133 g/mol
SMILES OC(CC(C)C)=O
SPLASH splash10-01ox-9000000000-2d28363c16a904ebad2d
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887569