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(1S,4S)-3,3-Dideuterio-4-methylcyclohexan-1-ol
SpectraBase Compound ID 8x4qNBkD3mn
InChI InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-/i2D2/m1/s1
InChIKey MQWCXKGKQLNYQG-NSWNRKHWSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H12D2O
Exact Mass 116.117019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AigDZ6vqJU2
Name (1S,4S)-3,3-Dideuterio-4-methylcyclohexan-1-ol
CAS Registry Number 73687-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12D2O
InChI InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-/i2D2/m1/s1
InChIKey MQWCXKGKQLNYQG-NSWNRKHWSA-N
Molecular Weight 116.200 g/mol
SMILES O[C@@]1(CC([D])([D])[C@](CC1)(C)[H])[H]
SPLASH splash10-0a4i-9000000000-881a9b72f2d2d57ffda2
Source of Spectrum J-45-2683-0
Wiley ID 1124894