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(1R,2S,5R)-2-((S)-1-hydroxyethyl)-5-methylcyclohexan-1-ol
SpectraBase Compound ID Gq21otZCAdm
InChI InChI=1S/C9H18O2/c1-6-3-4-8(7(2)10)9(11)5-6/h6-11H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKey PNNFKVCSFZCZBI-RYPBNFRJSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JK9qmUuDKBg
Name (1R,2S,5R)-2-((S)-1-hydroxyethyl)-5-methylcyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-6-3-4-8(7(2)10)9(11)5-6/h6-11H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKey PNNFKVCSFZCZBI-RYPBNFRJSA-N
Ionization Type EI
Molecular Weight 158.241 g/mol
SMILES O[C@]([C@]1([C@@](C[C@@](CC1)(C)[H])(O)[H])[H])(C)[H]
SPLASH splash10-053v-9000000000-e7fd38bfd1926eefaf0e
Sample Comments Major isomer
Source of Spectrum US20210198229A1
Wiley ID 1879965