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1,2-Cyclohexane-1,2,3,3-D4-diol, cis-
SpectraBase Compound ID Hnj11Ml9zDl
InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+/i3D2,5D,6D/m1/s1
InChIKey PFURGBBHAOXLIO-WDOQAWIYSA-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 8FYnJJTVc1C
Name 1,2-Cyclohexane-1,2,3,3-D4-diol, cis-
CAS Registry Number 53897-40-8
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+/i3D2,5D,6D/m1/s1
InChIKey PFURGBBHAOXLIO-WDOQAWIYSA-N
Molecular Weight 120.184 g/mol
SMILES O[C@]1([C@](CCCC1([D])[D])(O)[D])[D]
SPLASH splash10-0abc-9100000000-c787757e0172efdcb315
Source of Spectrum T-68-684-0
Synonyms cis-1,2(1,2,3,3-D4)cyclohexanediol
Wiley ID 3524