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(4R*,5R*)-5-Butyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
SpectraBase Compound ID Gu6PPfztDNC
InChI InChI=1S/C18H20O2/c1-2-3-9-16-14-17(19)11-13-18(16,20)12-10-15-7-5-4-6-8-15/h4-8,11,13,16,20H,2-3,9,14H2,1H3/t16-,18+/m1/s1
InChIKey FGBGLYYGNOLXIN-AEFFLSMTSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v6lBeAdt42
Name (4R*,5R*)-5-Butyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-2-3-9-16-14-17(19)11-13-18(16,20)12-10-15-7-5-4-6-8-15/h4-8,11,13,16,20H,2-3,9,14H2,1H3/t16-,18+/m1/s1
InChIKey FGBGLYYGNOLXIN-AEFFLSMTSA-N
Molecular Weight 268.356 g/mol
SMILES O[C@@]1(C#Cc2ccccc2)C=CC(C[C@]1(CCCC)[H])=O
SPLASH splash10-0f89-0910000000-b82a488d7fd51a8fa9fb
Source of Spectrum SO-0-129-3
Synonyms (4R,5R)-5-butyl-4-hydroxy-4-(phenylethynyl)-2-cyclohexen-1-one
Wiley ID 1542945