| SpectraBase Spectrum ID |
7tHMJ5iwmgg |
| Name |
1,3,5,7-Tetra(phenylmethyl)-3,7-diazabicyclo[3,3,1]-nonan-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.282763786 u |
| Formula |
C35H36N2O |
| InChI |
InChI=1S/C35H36N2O/c38-33-34(21-29-13-5-1-6-14-29)25-36(23-31-17-9-3-10-18-31)27-35(33,22-30-15-7-2-8-16-30)28-37(26-34)24-32-19-11-4-12-20-32/h1-20H,21-28H2/t34-,35+ |
| InChIKey |
NLRKPDOMRYKEQQ-HJWAMQHWSA-N |
| Molecular Weight |
500.686 g/mol |
| SMILES |
C1[C@]2(CN(C[C@](C2=O)(CN1CC=1C=CC=CC1)CC1=CC=CC=C1)CC1=CC=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908326 |
![1,3,5,7-Tetra(phenylmethyl)-3,7-diazabicyclo[3,3,1]-nonan-9-one](/api/spectrum/7tHMJ5iwmgg/structure.png?h=300&w=458 "1,3,5,7-Tetra(phenylmethyl)-3,7-diazabicyclo[3,3,1]-nonan-9-one")
