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3-Octen-2-one, 3-butyl-
SpectraBase Compound ID LOEc9FQGLZU
InChI InChI=1S/C12H22O/c1-4-6-8-10-12(11(3)13)9-7-5-2/h10H,4-9H2,1-3H3/b12-10+
InChIKey UAETWNBRKDGHSH-ZRDIBKRKSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49a9VdHOkJ1
Name 3-Octen-2-one, 3-butyl-
Alternate Name(s) (3Z)-3-Butyl-3-octen-2-one (E)-3-butyl-3-octen-2-one (E)-3-butyloct-3-en-2-one
CAS Registry Number 32064-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-4-6-8-10-12(11(3)13)9-7-5-2/h10H,4-9H2,1-3H3/b12-10+
InChIKey UAETWNBRKDGHSH-ZRDIBKRKSA-N
Molecular Weight 182.307 g/mol
SMILES CCCC\C=C/(CCCC)C(C)=O
SPLASH splash10-0006-9300000000-33c1840d15a0c081ea58
Source of Spectrum O-4-279-9
Wiley ID 1179090