SpectraBase Spectrum ID |
2dqyZGNhS2S |
Name |
Acrylothiamide, 3-morpholino-2-phenyl-N-(morpholinomethylene)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
345.151098165 u |
Formula |
C18H23N3O2S |
InChI |
InChI=1S/C18H23N3O2S/c24-18(19-15-21-8-12-23-13-9-21)17(16-4-2-1-3-5-16)14-20-6-10-22-11-7-20/h1-5,14-15H,6-13H2/b17-14+,19-15+ |
InChIKey |
QFUXBBDDGKNVHU-GVMPNVMCSA-N |
Molecular Weight |
345.461 g/mol |
SMILES |
C1N(CCOC1)\C=C\(C(\N=C\N1CCOCC1)=S)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978244 |