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3-methylvaleraldehyde
SpectraBase Compound ID EJJf6qc1BHK
InChI InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
InChIKey YJWJGLQYQJGEEP-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ILJKlsQaYu
Name Pentanal, 3-methyl-
CAS Registry Number 15877-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
InChIKey YJWJGLQYQJGEEP-UHFFFAOYSA-N
Molecular Weight 100.161 g/mol
SMILES CC(CC=O)CC
SPLASH splash10-0a4l-9000000000-f7da980dc0fe74150563
Source of Spectrum W5-1989-2490-1
Synonyms 3-Ethylbutanal 3-Methylpentanal 3-Methylvaleraldehyde C2H5CH(CH3)CH2CHO Valeraldehyde, 3-methyl- EINECS 240-014-6
Wiley ID 1119571