| SpectraBase Spectrum ID |
2TrE6SmEtzB |
| Name |
4-Chloro-N-[2-(ethoxymethyl)-7-oxo-7H-pyrimido[2,1-B][1,3,4]thiadiazol-6-yl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.039689166 u |
| Formula |
C15H13ClN4O3S |
| InChI |
InChI=1S/C15H13ClN4O3S/c1-2-23-8-12-19-20-14(22)11(7-17-15(20)24-12)18-13(21)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3,(H,18,21) |
| InChIKey |
BWQJWXKRKQLVRO-UHFFFAOYSA-N |
| Molecular Weight |
364.807 g/mol |
| SMILES |
CCOCC1=NN2C(S1)=NC=C(C2=O)NC(C1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8809 |
![4-Chloro-N-[2-(ethoxymethyl)-7-oxo-7H-pyrimido[2,1-b][1,3,4]thiadiazol-6-yl]benzamide](/api/spectrum/2TrE6SmEtzB/structure.png?h=300&w=458 "4-Chloro-N-[2-(ethoxymethyl)-7-oxo-7H-pyrimido[2,1-b][1,3,4]thiadiazol-6-yl]benzamide")
