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Acetamide-2,2,2-D3, N,N'-[1,3-cyclohexanediylbis(methylene-D2)]bis-, cis-
SpectraBase Compound ID 17CDTE7hwfg
InChI InChI=1S/C12H22N2O2/c1-9(15)13-7-11-4-3-5-12(6-11)8-14-10(2)16/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)/t11-,12+/i1D3,2D3,7D2,8D2
InChIKey GVFUKNCQLJMGAL-TVNKYFFOSA-N
Mol Weight 236.38 g/mol
Molecular Formula C12H122D10N2O2
Exact Mass 236.230895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8ADBrDN4eI
Name Acetamide-2,2,2-D3, N,N'-[1,3-cyclohexanediylbis(methylene-D2)]bis-, cis-
Alternate Name(s) cis-1,3-Bis(trideuterioacetamido-dideuteriomethyl)cyclohexane
CAS Registry Number 70925-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12D10N2O2
InChI InChI=1S/C12H22N2O2/c1-9(15)13-7-11-4-3-5-12(6-11)8-14-10(2)16/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)/t11-,12+/i1D3,2D3,7D2,8D2
InChIKey GVFUKNCQLJMGAL-TVNKYFFOSA-N
Molecular Weight 236.381 g/mol
SMILES N(C(=O)C([2D])([2D])[2D])C([C@@]1(C[C@](C(NC(=O)C([2D])([2D])[2D])([2D])[2D])(CCC1)[H])[H])([2D])[2D]
SPLASH splash10-06u2-9300000000-beefa2895fcb11c2914e
Source of Spectrum H-62-1061-0
Wiley ID 97406