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(+)-(1'S,3'S,6'S,E)-1-(2',2',3',6'-TETRAMETHYLCYCLOHEXYL)-HEX-1-EN-3-ONE
SpectraBase Compound ID JGw25SIX7uF
InChI InChI=1S/C16H28O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h10-13,15H,6-9H2,1-5H3/b11-10+/t12-,13-,15+/m0/s1
InChIKey DNMWURVBURMZIA-JPZPJLSBSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dqTRXUUUx5
Name (1'S,3'S,6'S,E)-1-(2',2',3',6'-Tetramethylcyclohexyl)hex-1-en-3-one
Alternate Name(s) (1E)-1-[(1S,3S,6S)-2,2,3,6-tetramethylcyclohexyl]-1-hexen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
InChI InChI=1S/C16H28O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h10-13,15H,6-9H2,1-5H3/b11-10+/t12-,13-,15+/m0/s1
InChIKey DNMWURVBURMZIA-JPZPJLSBSA-N
Molecular Weight 236.399 g/mol
SMILES C1([C@](\C=C\C(=O)CCC)([C@@](C)(CC[C@@]1(C)[H])[H])[H])(C)C
SPLASH splash10-05gm-9500000000-cbefe8f44662bbf8f43c
Source of Spectrum H-76-2085-21
Wiley ID 1239065