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4-Cyclohepten-1-ol, 4-methyl-1-(phenylethynyl)-
SpectraBase Compound ID HQNxSJg8Eav
InChI InChI=1S/C16H18O/c1-14-6-5-11-16(17,12-9-14)13-10-15-7-3-2-4-8-15/h2-4,6-8,17H,5,9,11-12H2,1H3
InChIKey IILVTLUMRMBHLL-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jrfz0drcQYq
Name 4-Cyclohepten-1-ol, 4-methyl-1-(phenylethynyl)-
CAS Registry Number 95921-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-14-6-5-11-16(17,12-9-14)13-10-15-7-3-2-4-8-15/h2-4,6-8,17H,5,9,11-12H2,1H3
InChIKey IILVTLUMRMBHLL-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES OC1(C#Cc2ccccc2)CCC(C)=CCC1
SPLASH splash10-054o-0930000000-67743e2a9a55b13c7675
Source of Spectrum F-40-4015-0
Synonyms 4-Methyl-1-(phenylethynyl)-4-cyclohepten-1-ol
Wiley ID 1228201