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3-Methyl-2-butenal
SpectraBase Compound ID HUOPPh0A3ZB
InChI InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N
Mol Weight 84.12 g/mol
Molecular Formula C5H8O
Exact Mass 84.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Dkxd5IfjsO
Name Crotonaldehyde <3-methyl->
Source of Sample SAFC Cat.no. W364607
CAS Registry Number 107-86-8
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 84.057514877 u
Formula C5H8O
InChI InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N
Molecular Weight 84.118 g/mol
Number of Peaks 38
RI1 780
RI2 441
RI3 612
RI4 559
RI5 753
SMILES CC(C)=CC=O
SPLASH splash10-001i-9000000000-82d673ff77f85a06ee4f
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Butenal, 3-methyl-
Wiley ID LM_FFNSC3_1630