| SpectraBase Spectrum ID |
52bhj3jQTqB |
| Name |
1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5,7-diphenyl-2-(3-pyridinyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.184112372 u |
| Formula |
C25H23N3O |
| InChI |
InChI=1S/C25H23N3O/c29-23-24(20-9-3-1-4-10-20)15-27-17-25(23,21-11-5-2-6-12-21)18-28(16-24)22(27)19-8-7-13-26-14-19/h1-14,22H,15-18H2/t22?,24-,25+ |
| InChIKey |
XYYSZNFEAGRMOL-WINZOAQQSA-N |
| Molecular Weight |
381.479 g/mol |
| SMILES |
C1(=CN=CC=C1)C1N2C[C@]3(C4=CC=CC=C4)CN1C[C@@](C1=CC=CC=C1)(C3=O)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957011 |
![1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5,7-diphenyl-2-(3-pyridinyl)-](/api/spectrum/52bhj3jQTqB/structure.png?h=300&w=458 "1,3-Diazatricyclo[3.3.1.1(3,7)]decan-6-one, 5,7-diphenyl-2-(3-pyridinyl)-")
