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Cyclohexan-3,3-D2-ol, 4-methyl-, acetate, (1S-trans)-
SpectraBase Compound ID 3dVtjW7GHs9
InChI InChI=1S/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/i3D2/m1/s1
InChIKey VJBFCCCTSQEGMH-SHVRDQRXSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H14D2O2
Exact Mass 158.127583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4norbvss81j
Name Cyclohexan-3,3-D2-ol, 4-methyl-, acetate, (1S-trans)-
CAS Registry Number 73687-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14D2O2
InChI InChI=1S/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/i3D2/m1/s1
InChIKey VJBFCCCTSQEGMH-SHVRDQRXSA-N
Molecular Weight 158.237 g/mol
SMILES C(O[C@]1(CC[C@@](C(C1)([D])[D])(C)[H])[H])(=O)C
SPLASH splash10-0006-9000000000-429705ed1cce8fb1fbb0
Source of Spectrum J-45-2683-0
Synonyms (1S,4S)-1-Acetoxy-3,3-dideuterio-4-methylcyclohexane
Wiley ID 1153931