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(2E)-1-(2,5-Dimethylcyclohex-3-enyl)but-2-en-1-one
SpectraBase Compound ID AqUHW68yL52
InChI InChI=1S/C12H18O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h4-7,9-11H,8H2,1-3H3/b5-4+
InChIKey RTXFDEFXZVRQEJ-SNAWJCMRSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESqEnfH1doW
Name (2E)-1-(2,5-Dimethylcyclohex-3-enyl)but-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h4-7,9-11H,8H2,1-3H3/b5-4+
InChIKey RTXFDEFXZVRQEJ-SNAWJCMRSA-N
Ionization Type EI
Molecular Weight 178.275 g/mol
SMILES CC1C=CC(C(C1)C(\C=C\C)=O)C
SPLASH splash10-014i-9200000000-93b54a1020cc1213a7d4
Sample Comments dr = 75:25
Source of Spectrum US20100016197A1
Wiley ID 1842064