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(E)-(1S,2S)-trans-2-Methylcyclohexyl 2-Phenyleth-1-enyl ketone
SpectraBase Compound ID FRY5Eo0LuzP
InChI InChI=1S/C16H20O/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-4,8-9,11-13,15H,5-7,10H2,1H3/b12-11+/t13-,15-/m0/s1
InChIKey DHJOIBKQCQJMHY-BJKSPJJASA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BjHqSzKChw
Name (E)-(1S,2S)-trans-2-Methylcyclohexyl 2-Phenyleth-1-enyl ketone
Alternate Name(s) (2E)-1-[(1S,2S)-2-methylcyclohexyl]-3-phenyl-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-4,8-9,11-13,15H,5-7,10H2,1H3/b12-11+/t13-,15-/m0/s1
InChIKey DHJOIBKQCQJMHY-BJKSPJJASA-N
Molecular Weight 228.335 g/mol
SMILES C(\C=C\c1ccccc1)([C@@]1([C@@](C)(CCCC1)[H])[H])=O
SPLASH splash10-053r-3900000000-f8270efe597293b79f2c
Source of Spectrum QC-4-66-14
Wiley ID 883227