| SpectraBase Spectrum ID |
BV0mk0W20Tg |
| Name |
2H-Pyrimido[4,5-B]indol-2-one, 3,9-dihydro-3,9-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.121512114 u |
| Formula |
C22H15N3O |
| InChI |
InChI=1S/C22H15N3O/c26-22-23-21-19(15-24(22)16-9-3-1-4-10-16)18-13-7-8-14-20(18)25(21)17-11-5-2-6-12-17/h1-15H |
| InChIKey |
IWBSUKBHMJFOKS-UHFFFAOYSA-N |
| Molecular Weight |
337.382 g/mol |
| SMILES |
C1=2C(=CN(C(N2)=O)C=2C=CC=CC2)C=2C=CC=CC2N1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924754 |
![2H-Pyrimido[4,5-b]indol-2-one, 3,9-dihydro-3,9-diphenyl-](/api/spectrum/BV0mk0W20Tg/structure.png?h=300&w=458 "2H-Pyrimido[4,5-b]indol-2-one, 3,9-dihydro-3,9-diphenyl-")
