| SpectraBase Spectrum ID |
A2tAZ8uzPWo |
| Name |
2-Amino-4-(4-chlorophenyl)-3,4-dihydro-(5H)-[1]benzopyrano[4,3-C]pyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.082539782 u |
| Formula |
C17H14ClN3O |
| InChI |
InChI=1S/C17H14ClN3O/c18-11-7-5-10(6-8-11)15-13-9-22-14-4-2-1-3-12(14)16(13)21-17(19)20-15/h1-8,15H,9H2,(H3,19,20,21) |
| InChIKey |
MBRMBFDZYYZYRN-UHFFFAOYSA-N |
| Molecular Weight |
311.772 g/mol |
| SMILES |
C12=C(C(C3=CC=C(C=C3)Cl)NC(=N1)N)COC1=C2C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907766 |
![2-Amino-4-(4-chlorophenyl)-3,4-dihydro-(5H)-[1]benzopyrano[4,3-c]pyrimidine](/api/spectrum/A2tAZ8uzPWo/structure.png?h=300&w=458 "2-Amino-4-(4-chlorophenyl)-3,4-dihydro-(5H)-[1]benzopyrano[4,3-c]pyrimidine")
