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Methylisobutyrate
SpectraBase Compound ID C0RL0sh0o6O
InChI InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKey BHIWKHZACMWKOJ-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 HXJsv0qu28W
Name Isobutyrate
CAS Registry Number 547-63-7
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 102.068079560 u
Formula C5H10O2
InChI InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKey BHIWKHZACMWKOJ-UHFFFAOYSA-N
Molecular Weight 102.133 g/mol
Number of Peaks 40
RI2 541
RI4 789
RI5 486
SMILES C(C(C)C)(=O)OC
SPLASH splash10-0006-9000000000-ee2487d870c48e51e12e
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Propanoic acid, 2-methyl-, methyl ester Me. C4:0 iso
Wiley ID LM_LIPIDS2016_144