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(E)-1-(2,2-dimethyl-6-methylene-cyclohexyl)but-2-en-1-one
SpectraBase Compound ID LOEHEOpbJDV
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,12H,2,6,8-9H2,1,3-4H3/b7-5+
InChIKey IXLLBXDECOMIBP-FNORWQNLSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lol34jowKMO
Name (E)-1-(2,2-dimethyl-6-methylene-cyclohexyl)but-2-en-1-one
CAS Registry Number 35087-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,12H,2,6,8-9H2,1,3-4H3/b7-5+
InChIKey IXLLBXDECOMIBP-FNORWQNLSA-N
Molecular Weight 192.302 g/mol
SMILES C1(C(=C)CCCC1(C)C)C(\C=C\C)=O
SPLASH splash10-014i-9100000000-b47f13e9b08aa80fd3a6
Source of Spectrum H-57-1326-26
Synonyms 2-Buten-1-one, 1-(2,2-dimethyl-6-methylenecyclohexyl)- (E)-1-(2,2-dimethyl-6-methylenecyclohexyl)-2-buten-1-one (E)-1-(2,2-dimethyl-6-methylidene-cyclohexyl)but-2-en-1-one
Wiley ID 1189120