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2-Acetyl-2-(phenylethynyl)cyclohexan-1-ol
SpectraBase Compound ID HfsTGhRwX0B
InChI InChI=1S/C16H18O2/c1-13(17)16(11-6-5-9-15(16)18)12-10-14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9,11H2,1H3/t15-,16+/m0/s1
InChIKey JTPYHOWFDFERCC-JKSUJKDBSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APDFpQyLUYN
Name 2-Acetyl-2-(phenylethynyl)cyclohexan-1-ol
Alternate Name(s) 1-((1S,2S)-2-Hydroxy-1-phenylethynyl-cyclohexyl)-ethanone 1-[2-hydroxy-1-(phenylethynyl)cyclohexyl]ethanone
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Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-13(17)16(11-6-5-9-15(16)18)12-10-14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9,11H2,1H3/t15-,16+/m0/s1
InChIKey JTPYHOWFDFERCC-JKSUJKDBSA-N
Molecular Weight 242.318 g/mol
SMILES O[C@@]1([C@](C#Cc2ccccc2)(C(=O)C)CCCC1)[H]
SPLASH splash10-000x-1920000000-8c1f2d7a7aabfa59c767
Source of Spectrum J-58-5950-3
Wiley ID 1245563