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6-Hepten-2-one
SpectraBase Compound ID CXlA6NOxaGu
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3H,1,4-6H2,2H3
InChIKey JJVHJHWEVLXYCJ-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzhBeGr2lwR
Name 6-Hepten-2-one
CAS Registry Number 21889-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3H,1,4-6H2,2H3
InChIKey JJVHJHWEVLXYCJ-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
SMILES C(C=C)CCC(C)=O
SPLASH splash10-0596-9000000000-f626448d3e192938e41f
Source of Spectrum B-48-1827-0
Synonyms Hept-6-en-2-one
Wiley ID 1123514