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N-Desmethyl U-47700

View entire compound with spectra: 1 MS (GC)

N-Desmethyl U-47700
SpectraBase Compound ID CWe7B0bpWa
InChI InChI=1S/C15H20Cl2N2O/c1-18-13-5-3-4-6-14(13)19(2)15(20)10-7-8-11(16)12(17)9-10/h7-9,13-14,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKey UOLMIGVJKXDEGR-ZIAGYGMSSA-N
Mol Weight 315.24 g/mol
Molecular Formula C15H20Cl2N2O
Exact Mass 314.095269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNBfNb5C7Em
Name N-Desmethyl U-47700
Alternate Name(s) trans-3,4-dichloro-N-methyl-N-[2-(methylamino)cyclohexyl]-benzamide 3,4-Dichloro-N-methyl-N-((1R,2R)-2-(methylamino)cyclohexyl)benzamide
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Formula C15H20Cl2N2O
InChI InChI=1S/C15H20Cl2N2O/c1-18-13-5-3-4-6-14(13)19(2)15(20)10-7-8-11(16)12(17)9-10/h7-9,13-14,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKey UOLMIGVJKXDEGR-ZIAGYGMSSA-N
Molecular Weight 315.244 g/mol
SMILES N([C@]1([C@](N(C(c2ccc(c(c2)Cl)Cl)=O)C)(CCCC1)[H])[H])C
SPLASH splash10-03k9-7900000000-bbe3c7140284a0bcd99c
Source of Spectrum SWG-33-4608-0
Wiley ID 1811206