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2-Butyl-6-hydroxy-2-((4-methoxyphenyl)ethynyl)cyclohexanone
SpectraBase Compound ID 7wDCAvZfWd3
InChI InChI=1S/C19H24O3/c1-3-4-12-19(13-5-6-17(20)18(19)21)14-11-15-7-9-16(22-2)10-8-15/h7-10,17,20H,3-6,12-13H2,1-2H3/t17-,19+/m1/s1
InChIKey SGTTXUXLVIAPLI-MJGOQNOKSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIUSeBhNQc4
Name 2-Butyl-6-hydroxy-2-((4-methoxyphenyl)ethynyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-3-4-12-19(13-5-6-17(20)18(19)21)14-11-15-7-9-16(22-2)10-8-15/h7-10,17,20H,3-6,12-13H2,1-2H3/t17-,19+/m1/s1
InChIKey SGTTXUXLVIAPLI-MJGOQNOKSA-N
Literature Reference DOI 10.1002/anie.201103961
Molecular Weight 300.398 g/mol
SMILES O[C@@]1(CCC[C@](C1=O)(C#Cc1ccc(cc1)OC)CCCC)[H]
SPLASH splash10-0pi3-3961000000-5889fac0cfe58372d5b8
Source of Spectrum ACI-50-SM14-1k
Synonyms (2S,6R)-2-butyl-6-hydroxy-2-((4-methoxyphenyl)ethynyl)cyclohexan-1-one
Wiley ID 1780041