| SpectraBase Spectrum ID |
JdpGUDdRbsk |
| Name |
3-(4-Nitrobenzylamino)-2-phenyl-thioacrylic acid morpholide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.130362719 u |
| Formula |
C20H21N3O3S |
| InChI |
InChI=1S/C20H21N3O3S/c24-23(25)18-8-6-16(7-9-18)14-21-15-19(17-4-2-1-3-5-17)20(27)22-10-12-26-13-11-22/h1-9,15,21H,10-14H2/b19-15+ |
| InChIKey |
NCTJOTJUHBTAJK-XDJHFCHBSA-N |
| Molecular Weight |
383.466 g/mol |
| SMILES |
C1(=CC=C(C=C1)N(=O)=O)CN\C=C\(C(=S)N1CCOCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929312 |
