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(1S,2S,4S,5S)-2,5-dimethylcyclohexane-1,4-diol
SpectraBase Compound ID 2pPrFZaKXVd
InChI InChI=1S/C8H16O2/c1-5-3-8(10)6(2)4-7(5)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKey RRQDMZJIAHZBQM-XAMCCFCMSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 364sV4Ul3fp
Name (1S,2S,4S,5S)-2,5-dimethylcyclohexane-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-5-3-8(10)6(2)4-7(5)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKey RRQDMZJIAHZBQM-XAMCCFCMSA-N
Literature Reference DOI 10.1002/cjoc.201180303
Molecular Weight 144.214 g/mol
SMILES O[C@]1(C[C@@]([C@](C[C@@]1(C)[H])(O)[H])(C)[H])[H]
SPLASH splash10-00di-9100000000-1fe6906b45897dfb016d
Source of Spectrum CJC-29-1700-2,(1S,2S,4S,5S)_2
Wiley ID 1772612