| SpectraBase Spectrum ID |
8YycVqcuSg7 |
| Name |
6-(3-Chlorophenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-D]pyrimidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.093104465 u |
| Formula |
C19H16ClN3O2 |
| InChI |
InChI=1S/C19H16ClN3O2/c1-22-15-11-23(14-9-5-8-13(20)10-14)18(24)16(15)17(21-19(22)25)12-6-3-2-4-7-12/h2-10,17H,11H2,1H3,(H,21,25) |
| InChIKey |
ZFCVXBOHEKWVDV-UHFFFAOYSA-N |
| Molecular Weight |
353.809 g/mol |
| SMILES |
C1=2N(C(NC(C2C(N(C1)C=1C=C(C=CC1)Cl)=O)C=1C=CC=CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948734 |
![6-(3-Chlorophenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione](/api/spectrum/8YycVqcuSg7/structure.png?h=300&w=458 "6-(3-Chlorophenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione")
