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5-Hepten-2-one, 3-(1,4-dimethyl-3-cyclohexen-1-yl)-3,6-dimethyl-, (R*,S*)-(.+-.)-
SpectraBase Compound ID 7TBl2wSHigw
InChI InChI=1S/C17H28O/c1-13(2)7-12-17(6,15(4)18)16(5)10-8-14(3)9-11-16/h7-8H,9-12H2,1-6H3/t16-,17+/m1/s1
InChIKey RWVWARFMXARLJE-SJORKVTESA-N
Mol Weight 248.41 g/mol
Molecular Formula C17H28O
Exact Mass 248.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48HeLzQCXJm
Name 5-Hepten-2-one, 3-(1,4-dimethyl-3-cyclohexen-1-yl)-3,6-dimethyl-, (R*,S*)-(.+-.)-
CAS Registry Number 124017-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O
InChI InChI=1S/C17H28O/c1-13(2)7-12-17(6,15(4)18)16(5)10-8-14(3)9-11-16/h7-8H,9-12H2,1-6H3/t16-,17+/m1/s1
InChIKey RWVWARFMXARLJE-SJORKVTESA-N
Molecular Weight 248.410 g/mol
SMILES [C@@]([C@@]1(CC=C(CC1)C)C)(CC=C(C)C)(C(=O)C)C
SPLASH splash10-0a4i-5900000000-086d3742284504568913
Source of Spectrum H-72-589-40
Synonyms (3R)-3-[(1S)-1,4-dimethyl-3-cyclohexen-1-yl]-3,6-dimethyl-5-hepten-2-one (3RS,1'SR)-3-(1',4'-dimethylcyclohex-3'-enyl)-3,6-dimethylhept-5-en-2-one
Wiley ID 1251787