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JHWWVZZGBLPJPW-WUXMJOGZSA-N
SpectraBase Compound ID L0DzzYx0Ws
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h6-7,10,14H,5,8H2,1-4H3/b12-6+
InChIKey JHWWVZZGBLPJPW-WUXMJOGZSA-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 J8rP01HTxhy
Name (4E)-3,5,5-trimethyl-4-(3-oxidanylbutylidene)cyclohex-2-en-1-one
CAS Registry Number 125874-11-5
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/h6-7,10,14H,5,8H2,1-4H3/b12-6+
InChIKey JHWWVZZGBLPJPW-WUXMJOGZSA-N
Molecular Weight 208.301 g/mol
SMILES OC(C\C=C/1C(=CC(CC1(C)C)=O)C)C
SPLASH splash10-0002-5900000000-ab850e4d57ee18cb47e2
Source of Spectrum KC-0-1577-9
Synonyms 9-Hydroxymegastigma-4,6-dien-3-one (4Z)-3,5,5-trimethyl-4-(3-oxidanylbutylidene)cyclohex-2-en-1-one (4E)-4-(3-hydroxybutylidene)-3,5,5-trimethyl-1-cyclohex-2-enone 6-(3'-hydroxybut-1'-ylidene)-1,5,5-trimethylcyclohex-1-en-3-one (4Z)-4-(3-hydroxybutylidene)-3,5,5-trimethyl-1-cyclohex-2-enone (4E)-4-(3-hydroxybutylidene)-3,5,5-trimethyl-cyclohex-2-en-1-one (4Z)-4-(3-hydroxybutylidene)-3,5,5-trimethyl-cyclohex-2-en-1-one (4Z)-4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one
Wiley ID 822590