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(1S,2R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
SpectraBase Compound ID C4q1wt3kqhQ
InChI InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1
InChIKey WKZWTZTZWGWEGE-AEJSXWLSSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EV4b0Y1JsJG
Name (1S,2R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1
InChIKey WKZWTZTZWGWEGE-AEJSXWLSSA-N
Instrument Name Thermo Fisher TRACE 1300 ISQ QD
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cctc.201901045
Molecular Weight 170.252 g/mol
SMILES O[C@@]1(C[C@](CC[C@@]1(O)C)(C(=C)C)[H])[H]
SPLASH splash10-0600-9200000000-be607490f63f8a092c2b
Sample Comments dr = 9:1
Source of Spectrum CCC-11-SM30-9n
Wiley ID 1836851