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2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [1S-[1.alpha.,4.alpha.(1E,3S*)]]-
SpectraBase Compound ID DYzCPmcT09t
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10-12,14-15H,8H2,1-4H3/b6-5+/t10-,11+,12-/m0/s1
InChIKey YTPJSSUCMUKHHN-ULUCOWRSSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gfz2BnZt5s4
Name 2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [1S-[1.alpha.,4.alpha.(1E,3S*)]]-
CAS Registry Number 68831-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10-12,14-15H,8H2,1-4H3/b6-5+/t10-,11+,12-/m0/s1
InChIKey YTPJSSUCMUKHHN-ULUCOWRSSA-N
Molecular Weight 210.317 g/mol
SMILES O[C@@]1(C=C([C@](\C=C\[C@@](O)(C)[H])(C(C1)(C)C)[H])C)[H]
SPLASH splash10-0a4l-5900000000-b230418290b909060e30
Source of Spectrum SB-32-393-0
Synonyms (1S,4R)-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-2-cyclohexen-1-ol (3S,6R,7E,9R)-4,7-megastigmadiene-3,9-diol
Wiley ID 1209500