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4-Megastigmen-3,9-dione
SpectraBase Compound ID 7VSwxwucKu9
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3
InChIKey GSTVTHMQXVKNQF-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTSOIywbnsc
Name 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-
Alternate Name(s) 3,5,5-trimethyl-4-(3-oxidanylidenebutyl)cyclohex-2-en-1-one 3,5,5-Trimethyl-4-(3-oxobutyl)-2-cyclohexen-1-one 3,5,5-trimethyl-4-(3-oxobutyl)-1-cyclohex-2-enone 3,5,5-Trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one 3-Oxo-7,8-dihydro-.alpha.-ionone 4-(3-ketobutyl)-3,5,5-trimethyl-cyclohex-2-en-1-one EINECS 277-784-8
CAS Registry Number 74233-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3
InChIKey GSTVTHMQXVKNQF-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C=1(C(C(C)(C)CC(C1)=O)CCC(=O)C)C
SPLASH splash10-0k9f-5900000000-f71aeeb86eaa70db6cd9
Source of Spectrum KC-0-2404-26
Wiley ID 786430