| SpectraBase Spectrum ID |
1KNIbc32M3Y |
| Name |
2-(Nitroformylmethylene)-4,5-dicarbomethoxy-1,3-dithiole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.966393910 u |
| Formula |
C9H7NO7S2 |
| InChI |
InChI=1S/C9H7NO7S2/c1-16-7(12)5-6(8(13)17-2)19-9(18-5)4(3-11)10(14)15/h3H,1-2H3 |
| InChIKey |
RKSLVTNNSPKWBS-UHFFFAOYSA-N |
| Molecular Weight |
305.275 g/mol |
| SMILES |
C1(=C(SC(S1)=C(N(=O)=O)C=O)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826366 |
