SpectraBase Spectrum ID |
6l5L5inSNxq |
Name |
Trans-6-allyl-1-methyl-4-nitromethylpiperidine-2-thione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.093248935 u |
Formula |
C10H16N2O2S |
InChI |
InChI=1S/C10H16N2O2S/c1-3-4-9-5-8(7-12(13)14)6-10(15)11(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1 |
InChIKey |
GDJMAKRBMJRGQY-RKDXNWHRSA-N |
Molecular Weight |
228.310 g/mol |
SMILES |
C1(N([C@](CC=C)(C[C@](C1)(CN(=O)=O)[H])[H])C)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884266 |