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U-47700-d6

View entire compound with spectra: 1 MS (GC)

U-47700-d6
SpectraBase Compound ID 6G73OhZg1Y4
InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1/i1D3,2D3
InChIKey JGPNMZWFVRQNGU-HOPRYTGQSA-N
Mol Weight 335.31 g/mol
Molecular Formula C16H16D6Cl2N2O
Exact Mass 334.148579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MUwzGdpgjo
Name U-47700-d6
Alternate Name(s) trans-3,4-dichloro-N-[2-(dimethylamino-d6)cyclohexyl]-N-methyl-benzamide N-((1R,2R)-2-(bis(methyl-d3)amino)cyclohexyl)-3,4-dichloro-N-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16D6Cl2N2O
InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1/i1D3,2D3
InChIKey JGPNMZWFVRQNGU-HOPRYTGQSA-N
Molecular Weight 335.308 g/mol
SMILES c1(c(ccc(c1)C(N(C)[C@]1([C@@](CCCC1)(N(C([D])([D])[D])C([D])([D])[D])[H])[H])=O)Cl)Cl
SPLASH splash10-000x-9600000000-998b508b76bfa2174e69
Source of Spectrum SWG-33-4558-0
Wiley ID 1811158