| SpectraBase Spectrum ID |
5YpXZ04oS3J |
| Name |
2-(3,4-Methylenedioxy-2-aminophenyl)-4,4-diphenyl-3,4-dihydroquinazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.163376926 u |
| Formula |
C27H21N3O2 |
| InChI |
InChI=1S/C27H21N3O2/c28-24-20(15-16-23-25(24)32-17-31-23)26-29-22-14-8-7-13-21(22)27(30-26,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,17,28H2,(H,29,30) |
| InChIKey |
XMTRBOITMLXUMD-UHFFFAOYSA-N |
| Molecular Weight |
419.484 g/mol |
| SMILES |
C=1(NC(C2=CC=CC=C2)(C2=CC=CC=C2)C=2C(N1)=CC=CC2)C1=C(C=2OCOC2C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948339 |
