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(4R*,5R*)-5-Ethyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
SpectraBase Compound ID 658v9mkVphE
InChI InChI=1S/C16H16O2/c1-2-14-12-15(17)9-11-16(14,18)10-8-13-6-4-3-5-7-13/h3-7,9,11,14,18H,2,12H2,1H3/t14-,16+/m1/s1
InChIKey WHFVLCWKFPLJNM-ZBFHGGJFSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQD4bFuRo4J
Name (4R*,5R*)-5-Ethyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
Alternate Name(s) (4R,5R)-5-ethyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-2-14-12-15(17)9-11-16(14,18)10-8-13-6-4-3-5-7-13/h3-7,9,11,14,18H,2,12H2,1H3/t14-,16+/m1/s1
InChIKey WHFVLCWKFPLJNM-ZBFHGGJFSA-N
Molecular Weight 240.302 g/mol
SMILES O[C@@]1(C#Cc2ccccc2)C=CC(C[C@]1(CC)[H])=O
SPLASH splash10-0fb9-1900000000-f5abecf2b32fffb69c59
Source of Spectrum SO-0-129-3
Wiley ID 1542943