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trans-6-Allyl-1-benzyl-4-(1-nitrocyclohexyl)piperidine-2-thione
SpectraBase Compound ID 7PvUKOHzPM7
InChI InChI=1S/C21H28N2O2S/c1-2-9-19-14-18(21(23(24)25)12-7-4-8-13-21)15-20(26)22(19)16-17-10-5-3-6-11-17/h2-3,5-6,10-11,18-19H,1,4,7-9,12-16H2/t18-,19-/m1/s1
InChIKey VKKXDLHJHIJYDF-RTBURBONSA-N
Mol Weight 372.53 g/mol
Molecular Formula C21H28N2O2S
Exact Mass 372.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89XIQDDXsji
Name trans-6-Allyl-1-benzyl-4-(1-nitrocyclohexyl)piperidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O2S
InChI InChI=1S/C21H28N2O2S/c1-2-9-19-14-18(21(23(24)25)12-7-4-8-13-21)15-20(26)22(19)16-17-10-5-3-6-11-17/h2-3,5-6,10-11,18-19H,1,4,7-9,12-16H2/t18-,19-/m1/s1
InChIKey VKKXDLHJHIJYDF-RTBURBONSA-N
Molecular Weight 372.527 g/mol
SMILES C1(N([C@@](C[C@](C1)(C1(N(=O)=O)CCCCC1)[H])(CC=C)[H])Cc1ccccc1)=S
SPLASH splash10-0006-9254000000-f5ebcfec0ac9bc54262d
Source of Spectrum F-65-1343-5j
Wiley ID 1681850