| SpectraBase Spectrum ID |
OYzbxqs65e |
| Name |
2,2-di(Ethoxycarbonyl)-1-p-nitrophenyl-1-p-tolthioethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.108958568 u |
| Formula |
C21H21NO6S |
| InChI |
InChI=1S/C21H21NO6S/c1-4-27-20(23)18(21(24)28-5-2)19(29-17-12-6-14(3)7-13-17)15-8-10-16(11-9-15)22(25)26/h6-13H,4-5H2,1-3H3 |
| InChIKey |
SUKRHZGLUUYYPP-UHFFFAOYSA-N |
| Molecular Weight |
415.460 g/mol |
| SMILES |
C(=C(SC1=CC=C(C=C1)C)C1=CC=C(N(=O)=O)C=C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838536 |
