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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KCehvWcLmnd
Name 3-Methylcrotonaldehyde
Acquisition Mode SIMULTANEOUS
CAS Registry Number 107-86-8
ChEBI ID 15825
Comments 100 mM 3-methylcrotonaldehyde - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C5 H8 O
IUPAC Name 3-methylbut-2-enal
InChI InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N
KEGG Compound ID C07330
KEGG Pathways PATH: ko00908 Zeatin biosynthesis
PubChem Compound ID 61020
SMILES CC(=CC=O)C
Source File Reference bmse000474