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trans-1-(Buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclopentanol
SpectraBase Compound ID 4NHnbI3sGA0
InChI InChI=1S/C18H20O/c1-4-15(2)18(19)13-8-12-17(18,3)14-11-16-9-6-5-7-10-16/h5-7,9-10,19H,1,8,12-13H2,2-3H3/t17-,18+/m1/s1
InChIKey IVQZWPIVTWKAFO-MSOLQXFVSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgTr1d62eu6
Name trans-1-(Buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclopentanol
Alternate Name(s) (1S,2R)-1-(buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclopentan-1-ol
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Formula C18H20O
InChI InChI=1S/C18H20O/c1-4-15(2)18(19)13-8-12-17(18,3)14-11-16-9-6-5-7-10-16/h5-7,9-10,19H,1,8,12-13H2,2-3H3/t17-,18+/m1/s1
InChIKey IVQZWPIVTWKAFO-MSOLQXFVSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00348
Molecular Weight 252.357 g/mol
SMILES O[C@]1([C@@](C)(C#Cc2ccccc2)CCC1)C(=C=C)C
SPLASH splash10-017l-2930000000-7066ad9f98cb0166375f
Source of Spectrum A1-17-1465/SM13-3h
Wiley ID 1805052