| SpectraBase Spectrum ID |
6el2sDaCxYj |
| Name |
Dimethyl 2,3-bis[piperidyl(thiocarbonyl)]but-2-ene-1,4-dioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.133399669 u |
| Formula |
C18H26N2O4S2 |
| InChI |
InChI=1S/C18H26N2O4S2/c1-23-17(21)13(15(25)19-9-5-3-6-10-19)14(18(22)24-2)16(26)20-11-7-4-8-12-20/h3-12H2,1-2H3/b14-13+ |
| InChIKey |
OIPUFRCTBODOJP-BUHFOSPRSA-N |
| Molecular Weight |
398.536 g/mol |
| SMILES |
C(\C(=C\(C(N1CCCCC1)=S)C(=O)OC)C(=O)OC)(N1CCCCC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964272 |
![Dimethyl 2,3-bis[piperidyl(thiocarbonyl)]but-2-ene-1,4-dioate](/api/spectrum/6el2sDaCxYj/structure.png?h=300&w=458 "Dimethyl 2,3-bis[piperidyl(thiocarbonyl)]but-2-ene-1,4-dioate")
