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(1S,4R,6S)-1[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol
SpectraBase Compound ID GsnOAxZM1EV
InChI InChI=1S/C15H24O3/c1-11(5-7-16)6-8-18-14-12(2)9-13(17)10-15(14,3)4/h5,12-14,16-17H,7,9-10H2,1-4H3/b11-5+/t12-,13+,14-/m0/s1
InChIKey OXXXSFPIAHQFJD-BTCPNLIFSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHi3QnXztCN
Name (1S,4R,6S)-1[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol
CAS Registry Number 70905-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-11(5-7-16)6-8-18-14-12(2)9-13(17)10-15(14,3)4/h5,12-14,16-17H,7,9-10H2,1-4H3/b11-5+/t12-,13+,14-/m0/s1
InChIKey OXXXSFPIAHQFJD-BTCPNLIFSA-N
Molecular Weight 252.354 g/mol
SMILES O[C@]1(CC([C@@](OC#C\C(=C\CO)C)([C@](C1)(C)[H])[H])(C)C)[H]
SPLASH splash10-014j-0910000000-55c410e5f9496ba03cec
Source of Spectrum H-73-865-9
Synonyms (1R,4S,5S)-4-{[(3E)-5-hydroxy-3-methyl-3-penten-1-ynyl]oxy}-3,3,5-trimethylcyclohexanol
Wiley ID 1255883