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1,2-Cyclohexane-3,3,5,5-D4-diol, cis-
SpectraBase Compound ID 8Outq8OQE5T
InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+/i1D2,4D2/m1/s1
InChIKey PFURGBBHAOXLIO-XKEXMVROSA-N
Mol Weight 120.18 g/mol
Molecular Formula C6H8D4O2
Exact Mass 120.108837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE8VbsjSnwp
Name 1,2-Cyclohexane-3,3,5,5-D4-diol, cis-
Alternate Name(s) 3,3,5,5-D4-cis-1,2-cyclohexanediol
CAS Registry Number 53897-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8D4O2
InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+/i1D2,4D2/m1/s1
InChIKey PFURGBBHAOXLIO-XKEXMVROSA-N
Molecular Weight 120.184 g/mol
SMILES O[C@@]1([C@@](CC(CC1([D])[D])([D])[D])(O)[H])[H]
SPLASH splash10-05fu-9100000000-01d9da54dd6f5c9bed25
Source of Spectrum T-68-683-0
Wiley ID 3529