| SpectraBase Spectrum ID |
JwRgzv5LlYK |
| Name |
1H-Isoindole-1,3(2H)-dione, 3A,4,7,7A-tetrahydro-4,7-bis(2-nitrophenyl)-2-(phenylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.143035402 u |
| Formula |
C27H21N3O6 |
| InChI |
InChI=1S/C27H21N3O6/c31-26-24-20(18-10-4-6-12-22(18)29(33)34)14-15-21(19-11-5-7-13-23(19)30(35)36)25(24)27(32)28(26)16-17-8-2-1-3-9-17/h1-15,20-21,24-25H,16H2 |
| InChIKey |
HLOCKEQKFBYOHB-UHFFFAOYSA-N |
| Molecular Weight |
483.480 g/mol |
| SMILES |
C1(N(C(C2C(C=CC(C12)C=1C(N(=O)=O)=CC=CC1)C=1C(N(=O)=O)=CC=CC1)=O)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85478 |
