| SpectraBase Spectrum ID |
C3eamJccFC5 |
| Name |
Acrylothiamide, 2-(4-chlorophenyl)-3-morpholino-N-benzyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.106312177 u |
| Formula |
C20H21ClN2OS |
| InChI |
InChI=1S/C20H21ClN2OS/c21-18-8-6-17(7-9-18)19(15-23-10-12-24-13-11-23)20(25)22-14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,22,25)/b19-15+ |
| InChIKey |
CGTRGEJYNBSQTG-XDJHFCHBSA-N |
| Molecular Weight |
372.914 g/mol |
| SMILES |
C1N(CCOC1)\C=C\(C(NCC1=CC=CC=C1)=S)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832494 |
