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(1S,2R,3R)-3-tert-Butylcyclohexane-1,2-diol
SpectraBase Compound ID 7c8g0le4Hcr
InChI InChI=1S/C10H20O2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKey SKSWZOGKXHLFRP-XHNCKOQMSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rBpYPM8xhA
Name (1S,2R,3R)-3-tert-Butylcyclohexane-1,2-diol
Alternate Name(s) (1S,2R,3R)-3-(tert-butyl)cyclohexane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKey SKSWZOGKXHLFRP-XHNCKOQMSA-N
Literature Reference DOI 10.1002/adsc.200900818
Molecular Weight 172.268 g/mol
SMILES O[C@@]1([C@](CCC[C@@]1(O)[H])(C(C)(C)C)[H])[H]
SPLASH splash10-0002-9400000000-644ff42f6356d4ba42dd
Source of Spectrum ASC-352-864-7c
Wiley ID 1764305