| SpectraBase Spectrum ID |
FHlznlPyntN |
| Name |
3-( Crotonoylamino)-2-( crotonoylthio)-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.083412526 u |
| Formula |
C16H15N3O3S |
| InChI |
InChI=1S/C16H15N3O3S/c1-3-7-13(20)18-19-15(22)11-9-5-6-10-12(11)17-16(19)23-14(21)8-4-2/h3-10H,1-2H3,(H,18,20)/b7-3+,8-4+ |
| InChIKey |
ODOLKRAZUFVJQU-FCXRPNKRSA-N |
| Molecular Weight |
329.374 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(N(C(=N2)SC(\C=C\C)=O)NC(\C=C\C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957285 |
