| SpectraBase Spectrum ID |
DhyM7AfXajA |
| Name |
1,1,2,3,3-Pentaphenylisoindoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
499.229999938 u |
| Formula |
C38H29N |
| InChI |
InChI=1S/C38H29N/c1-6-18-30(19-7-1)37(31-20-8-2-9-21-31)35-28-16-17-29-36(35)38(32-22-10-3-11-23-32,33-24-12-4-13-25-33)39(37)34-26-14-5-15-27-34/h1-29H |
| InChIKey |
RAZNWAYFMHXKQW-UHFFFAOYSA-N |
| Molecular Weight |
499.657 g/mol |
| SMILES |
C1=CC=C(C2(C=3C=CC=CC3C(N2C=2C=CC=CC2)(C=2C=CC=CC2)C=2C=CC=CC2)C2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.994594 |
