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trans-1-[N-Methyl-N-(4-nitrophenyl)]amino-2-(phenylthio)cyclohexane
SpectraBase Compound ID HSmTN9pLNfT
InChI InChI=1S/C19H22N2O2S/c1-20(15-11-13-16(14-12-15)21(22)23)18-9-5-6-10-19(18)24-17-7-3-2-4-8-17/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3/t18-,19-/m1/s1
InChIKey HGUVCBSTQJDDBU-RTBURBONSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RmJAwkr9Pq
Name trans-1-[N-Methyl-N-(4-nitrophenyl)]amino-2-(phenylthio)cyclohexane
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Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-20(15-11-13-16(14-12-15)21(22)23)18-9-5-6-10-19(18)24-17-7-3-2-4-8-17/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3/t18-,19-/m1/s1
InChIKey HGUVCBSTQJDDBU-RTBURBONSA-N
Molecular Weight 342.457 g/mol
SMILES c1(N(=O)=O)ccc(N([C@]2([C@](Sc3ccccc3)(CCCC2)[H])[H])C)cc1
SPLASH splash10-0006-0927000000-2dd0850896dd69cee3dd
Source of Spectrum F-49-9103-4
Synonyms N-methyl-4-nitro-N-[(1R,2R)-2-(phenylsulfanyl)cyclohexyl]aniline N-methyl-N-(4-nitrophenyl)-N-[(1R,2R)-2-(phenylsulfanyl)cyclohexyl]amine
Wiley ID 788480