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(S)-(E)-4-(2',2'-Dimethyl-6'-methylene-1'-cyclohexy)but-3-en-2-one
SpectraBase Compound ID FplC5Mx85jh
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+/t12-/m1/s1
InChIKey SFEOKXHPFMOVRM-ABZNLYFFSA-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 ka5cwBQaDh
Name (S)-(E)-4-(2',2'-Dimethyl-6'-methylene-1'-cyclohexy)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+/t12-/m1/s1
InChIKey SFEOKXHPFMOVRM-ABZNLYFFSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]1(\C=C\C(=O)C)(C(=C)CCCC1(C)C)[H]
SPLASH splash10-0007-9600000000-ef185a15732ead65eefb
Source of Spectrum KD-13-1253-3
Synonyms (E)-4-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-3-buten-2-one (E)-4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one (E)-4-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]but-3-en-2-one
Wiley ID 1635348