| 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 |
