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trans-1,6-Diphenyl-4-(1-nitrocyclohexyl)piperidine-2-thione

View entire compound with spectra: 1 MS (GC)

trans-1,6-Diphenyl-4-(1-nitrocyclohexyl)piperidine-2-thione
SpectraBase Compound ID 4DDVdT7V3Bf
InChI InChI=1S/C23H26N2O2S/c26-25(27)23(14-8-3-9-15-23)19-16-21(18-10-4-1-5-11-18)24(22(28)17-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,19,21H,3,8-9,14-17H2/t19-,21+/m1/s1
InChIKey MDDGMRISVSWPQS-CTNGQTDRSA-N
Mol Weight 394.53 g/mol
Molecular Formula C23H26N2O2S
Exact Mass 394.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hS9Jll7Bgc
Name trans-1,6-Diphenyl-4-(1-nitrocyclohexyl)piperidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O2S
InChI InChI=1S/C23H26N2O2S/c26-25(27)23(14-8-3-9-15-23)19-16-21(18-10-4-1-5-11-18)24(22(28)17-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,19,21H,3,8-9,14-17H2/t19-,21+/m1/s1
InChIKey MDDGMRISVSWPQS-CTNGQTDRSA-N
Molecular Weight 394.533 g/mol
SMILES C1(N([C@@](C[C@](C1)(C1(N(=O)=O)CCCCC1)[H])(c1ccccc1)[H])c1ccccc1)=S
SPLASH splash10-0002-4329000000-de5dfc7ba803a97cf5e3
Source of Spectrum F-65-1344-5l
Wiley ID 1681848