| SpectraBase Spectrum ID |
3MrDgN33Giv |
| Name |
bis(4,5-Dicarbomethoxy-3-methyl-1,3-thiazoline-2-ylidene) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.050457888 u |
| Formula |
C16H18N2O8S2 |
| InChI |
InChI=1S/C16H18N2O8S2/c1-17-7(13(19)23-3)9(15(21)25-5)27-11(17)12-18(2)8(14(20)24-4)10(28-12)16(22)26-6/h1-6H3/b12-11+ |
| InChIKey |
DEDSSHQCUMMFMR-VAWYXSNFSA-N |
| Molecular Weight |
430.446 g/mol |
| SMILES |
C=1(N(\C(=C\2N(C(C(=O)OC)=C(S2)C(=O)OC)C)SC1C(=O)OC)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959424 |
