| SpectraBase Spectrum ID |
5cdb3w3yaEC |
| Name |
2,2'-(Propane-1,3-diyl)bis(N-cyclohexyl-3-oxoisoindoline-1-carboxamide) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.304955780 u |
| Formula |
C33H40N4O4 |
| InChI |
InChI=1S/C33H40N4O4/c38-30(34-22-12-3-1-4-13-22)28-24-16-7-9-18-26(24)32(40)36(28)20-11-21-37-29(25-17-8-10-19-27(25)33(37)41)31(39)35-23-14-5-2-6-15-23/h7-10,16-19,22-23,28-29H,1-6,11-15,20-21H2,(H,34,38)(H,35,39) |
| InChIKey |
OQHWNMIYKWZTPI-UHFFFAOYSA-N |
| Molecular Weight |
556.707 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)C(NC1CCCCC1)=O)CCCN1C(C=2C=CC=CC2C1C(NC1CCCCC1)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928167 |
