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(4Z)-2-methyl-4-propyl-4-octen-3-one
SpectraBase Compound ID F9thwQm0e1s
InChI InChI=1S/C12H22O/c1-5-7-9-11(8-6-2)12(13)10(3)4/h9-10H,5-8H2,1-4H3/b11-9-
InChIKey NGCCMWRRLQAKBW-LUAWRHEFSA-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 4HyWU9kdQrk
Name (4Z)-2-methyl-4-propyl-4-octen-3-one
Alternate Name(s) (Z)-2-methyl-4-propyl-4-octen-3-one (Z)-2-methyl-4-propyl-oct-4-en-3-one
CAS Registry Number 125540-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-5-7-9-11(8-6-2)12(13)10(3)4/h9-10H,5-8H2,1-4H3/b11-9-
InChIKey NGCCMWRRLQAKBW-LUAWRHEFSA-N
Molecular Weight 182.307 g/mol
SMILES C(\C(=C/CCC)CCC)(=O)C(C)C
SPLASH splash10-00kr-9600000000-0044e1df9d3ce8c40419
Source of Spectrum J-55-2556-3
Wiley ID 1179182