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1-(1-Hydroxy-2-heptyn-1-yl)-2-(2-phenylethynyl)cyclohexene
SpectraBase Compound ID 21xuUmbzGg
InChI InChI=1S/C21H24O/c1-2-3-4-8-15-21(22)20-14-10-9-13-19(20)17-16-18-11-6-5-7-12-18/h5-7,11-12,21-22H,2-4,9-10,13-14H2,1H3
InChIKey DOGFRJBMLGRZKO-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C21H24O
Exact Mass 292.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FU0vhl7g4N
Name 1-(1-Hydroxy-2-heptyn-1-yl)-2-(2-phenylethynyl)cyclohexene
Alternate Name(s) 1-[2-(phenylethynyl)-1-cyclohexen-1-yl]-2-heptyn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O
InChI InChI=1S/C21H24O/c1-2-3-4-8-15-21(22)20-14-10-9-13-19(20)17-16-18-11-6-5-7-12-18/h5-7,11-12,21-22H,2-4,9-10,13-14H2,1H3
InChIKey DOGFRJBMLGRZKO-UHFFFAOYSA-N
Molecular Weight 292.422 g/mol
SMILES OC(C1=C(CCCC1)C#Cc1ccccc1)C#CCCCC
SPLASH splash10-03di-0090000000-f86670212fb297ddc139
Source of Spectrum K-2001-1336-3
Wiley ID 1580408