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Hexanal, 3-methyl-
SpectraBase Compound ID CLWnfADJe8K
InChI InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3
InChIKey ZSJUABCTGCNBPF-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RDwQP0UtJe
Name Hexanal, 3-methyl-
CAS Registry Number 19269-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3
InChIKey ZSJUABCTGCNBPF-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES C(=O)CC(CCC)C
SPLASH splash10-006x-9000000000-cc0406cd4d19d48ba434
Source of Spectrum W5-1989-50813-14723
Synonyms 3-Methylhexanal 3-Methyl hexanal
Wiley ID 1124599