| SpectraBase Spectrum ID |
E41e8krwzXt |
| Name |
2-(2-Hydroxyphenyl)-5-oxo-4-thioxo-3,4-dihydro-5H-[1]benzopyrano[4,3-D]pyrimidin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.041213361 u |
| Formula |
C17H10N2O3S |
| InChI |
InChI=1S/C17H10N2O3S/c20-11-7-3-1-5-9(11)15-18-14-10-6-2-4-8-12(10)22-17(21)13(14)16(23)19-15/h1-8,20H,(H,18,19,23) |
| InChIKey |
FFQKCUIRDNPYGD-UHFFFAOYSA-N |
| Molecular Weight |
322.338 g/mol |
| SMILES |
C1(=NC2=C(C(N1)=S)C(OC=1C2=CC=CC1)=O)C=1C(=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906809 |
![2-(2-Hydroxyphenyl)-5-oxo-4-thioxo-3,4-dihydro-5H-[1]benzopyrano[4,3-d]pyrimidin](/api/spectrum/E41e8krwzXt/structure.png?h=300&w=458 "2-(2-Hydroxyphenyl)-5-oxo-4-thioxo-3,4-dihydro-5H-[1]benzopyrano[4,3-d]pyrimidin")
