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trans-1,6-Diphenyl-4-(1-methyl-1-nitroethyl)piperidine-2-thione
SpectraBase Compound ID K1heJlXCJOk
InChI InChI=1S/C20H22N2O2S/c1-20(2,22(23)24)16-13-18(15-9-5-3-6-10-15)21(19(25)14-16)17-11-7-4-8-12-17/h3-12,16,18H,13-14H2,1-2H3/t16-,18+/m1/s1
InChIKey JWFFQAFWCLREPH-AEFFLSMTSA-N
Mol Weight 354.47 g/mol
Molecular Formula C20H22N2O2S
Exact Mass 354.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xDnqrNWZqy
Name trans-1,6-Diphenyl-4-(1-methyl-1-nitroethyl)piperidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O2S
InChI InChI=1S/C20H22N2O2S/c1-20(2,22(23)24)16-13-18(15-9-5-3-6-10-15)21(19(25)14-16)17-11-7-4-8-12-17/h3-12,16,18H,13-14H2,1-2H3/t16-,18+/m1/s1
InChIKey JWFFQAFWCLREPH-AEFFLSMTSA-N
Molecular Weight 354.468 g/mol
SMILES C1(N([C@@](C[C@](C1)(C(N(=O)=O)(C)C)[H])(c1ccccc1)[H])c1ccccc1)=S
SPLASH splash10-0udi-2319000000-30f4223b275fbfc79780
Source of Spectrum F-65-1343-5h
Wiley ID 1681852