| SpectraBase Spectrum ID |
ATLJjpU0jxA |
| Name |
N-(2,4,6-Triphenylphenyl)perylene-3,4-carboximide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
625.204179111 u |
| Formula |
C46H27NO2 |
| InChI |
InChI=1S/C46H27NO2/c48-45-37-24-22-35-33-20-10-18-31-19-11-21-34(41(31)33)36-23-25-38(43(37)42(35)36)46(49)47(45)44-39(29-14-6-2-7-15-29)26-32(28-12-4-1-5-13-28)27-40(44)30-16-8-3-9-17-30/h1-27H |
| InChIKey |
QNGIJUHSNGHDHF-UHFFFAOYSA-N |
| Molecular Weight |
625.727 g/mol |
| SMILES |
C1(N(C(C2=CC=C3C=4C2=C1C=CC4C1=CC=CC=2C1=C3C=CC2)=O)C1=C(C=C(C2=CC=CC=C2)C=C1C=1C=CC=CC1)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911783 |
