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trans-1-(Buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclohexanol
SpectraBase Compound ID 6snUBASUbGu
InChI InChI=1S/C19H22O/c1-4-16(2)19(20)14-9-8-13-18(19,3)15-12-17-10-6-5-7-11-17/h5-7,10-11,20H,1,8-9,13-14H2,2-3H3/t18-,19+/m1/s1
InChIKey VSRCCHFJITWBMG-MOPGFXCFSA-N
Mol Weight 266.38 g/mol
Molecular Formula C19H22O
Exact Mass 266.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DehORgZXYqU
Name trans-1-(Buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclohexanol
Alternate Name(s) (1S,2R)-1-(buta-2,3-dien-2-yl)-2-methyl-2-(phenylethynyl)cyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O
InChI InChI=1S/C19H22O/c1-4-16(2)19(20)14-9-8-13-18(19,3)15-12-17-10-6-5-7-11-17/h5-7,10-11,20H,1,8-9,13-14H2,2-3H3/t18-,19+/m1/s1
InChIKey VSRCCHFJITWBMG-MOPGFXCFSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00348
Molecular Weight 266.384 g/mol
SMILES O[C@]1([C@@](C)(C#Cc2ccccc2)CCCC1)C(=C=C)C
SPLASH splash10-014i-2590000000-36113911d5dde2b54ce7
Source of Spectrum A1-17-1465/SM10-3e
Wiley ID 1805049