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(3E)-3-ethylidene-2-heptanone
SpectraBase Compound ID E9mV5kxZIg8
InChI InChI=1S/C9H16O/c1-4-6-7-9(5-2)8(3)10/h5H,4,6-7H2,1-3H3/b9-5+
InChIKey WBQLJTHOKVVSRN-WEVVVXLNSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGTOsEUASOu
Name (3E)-3-ethylidene-2-heptanone
Alternate Name(s) (3E)-3-ethylideneheptan-2-one (E)-3-Butylpent-3-en-2-one
CAS Registry Number 82201-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-4-6-7-9(5-2)8(3)10/h5H,4,6-7H2,1-3H3/b9-5+
InChIKey WBQLJTHOKVVSRN-WEVVVXLNSA-N
Molecular Weight 140.226 g/mol
SMILES CC(\C(=C\C)CCCC)=O
SPLASH splash10-052f-9200000000-dcd85231bfa320dd15c4
Source of Spectrum SO-0-702-5
Wiley ID 1540166