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Trans 6-hexyl-4-(1-methyl-1-nitroethyl)piperidine-2-thione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Trans 6-hexyl-4-(1-methyl-1-nitroethyl)piperidine-2-thione
SpectraBase Compound ID Dfx2YIpdlMW
InChI InChI=1S/C14H26N2O2S/c1-4-5-6-7-8-12-9-11(10-13(19)15-12)14(2,3)16(17)18/h11-12H,4-10H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKey FJHNKSZSGAMEKE-VXGBXAGGSA-N
Mol Weight 286.43 g/mol
Molecular Formula C14H26N2O2S
Exact Mass 286.171499 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BB6MK5nWEh8
Name Trans 6-hexyl-4-(1-methyl-1-nitroethyl)piperidine-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.171499257 u
Formula C14H26N2O2S
InChI InChI=1S/C14H26N2O2S/c1-4-5-6-7-8-12-9-11(10-13(19)15-12)14(2,3)16(17)18/h11-12H,4-10H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKey FJHNKSZSGAMEKE-VXGBXAGGSA-N
SMILES C(N(=O)=O)([C@]1(CC(=S)N[C@@](C1)(CCCCCC)[H])[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864786