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trans-2-(But-1-yn-1-yl)-1-(buta-2,3-dien-2-yl)-2-methylcyclohexanol
SpectraBase Compound ID 3IKbWmOVLTQ
InChI InChI=1S/C15H22O/c1-5-7-10-14(4)11-8-9-12-15(14,16)13(3)6-2/h16H,2,5,8-9,11-12H2,1,3-4H3/t14-,15-/m0/s1
InChIKey BXSYQTGIJGIJCD-GJZGRUSLSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CM1I2u6j1wn
Name trans-2-(But-1-yn-1-yl)-1-(buta-2,3-dien-2-yl)-2-methylcyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-5-7-10-14(4)11-8-9-12-15(14,16)13(3)6-2/h16H,2,5,8-9,11-12H2,1,3-4H3/t14-,15-/m0/s1
InChIKey BXSYQTGIJGIJCD-GJZGRUSLSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00348
Molecular Weight 218.340 g/mol
SMILES O[C@]1([C@@](C)(C#CCC)CCCC1)C(=C=C)C
SPLASH splash10-02vi-1910000000-38cec9ae1f35881b6c78
Source of Spectrum A1-17-1465/SM12-3g
Synonyms (1S,2R)-2-(but-1-yn-1-yl)-1-(buta-2,3-dien-2-yl)-2-methylcyclohexan-1-ol
Wiley ID 1805051