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(E)-1-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]but-2-en-1-one
SpectraBase Compound ID 8cCHWgLa9ZT
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+/t12-/m0/s1
InChIKey IXLLBXDECOMIBP-PZBABLGHSA-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 AevjmQrHJnN
Name (E)-1-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]but-2-en-1-one
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+/t12-/m0/s1
InChIKey IXLLBXDECOMIBP-PZBABLGHSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]1(C(=C)CCCC1(C)C)(C(\C=C\C)=O)[H]
SPLASH splash10-014i-9500000000-479c57275a8f18ed569b
Source of Spectrum QC-17-1578-3
Synonyms (S)-(E)-1-(2',2'-Dimethyl-6'-methylene-1'-cyclohexy)but-2-en-1-one (E)-1-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-2-buten-1-one (E)-1-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]but-2-en-1-one (E)-1-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]but-2-en-1-one
Wiley ID 1638301