| SpectraBase Spectrum ID |
7OI5avSMI4p |
| Name |
1,1'-(o-Phenylenedimethylene)bis(2-benzoyl-1,2-dihydroisoquinaldonitrile) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
622.236876220 u |
| Formula |
C42H30N4O2 |
| InChI |
InChI=1S/C42H30N4O2/c43-29-41(37-21-11-9-13-31(37)23-25-45(41)39(47)33-15-3-1-4-16-33)27-35-19-7-8-20-36(35)28-42(30-44)38-22-12-10-14-32(38)24-26-46(42)40(48)34-17-5-2-6-18-34/h1-26H,27-28H2 |
| InChIKey |
JIDJOSWEVPEWOY-UHFFFAOYSA-N |
| Molecular Weight |
622.728 g/mol |
| SMILES |
C=1C(=C(C=CC1)CC1(N(C=CC=2C=CC=CC12)C(C=1C=CC=CC1)=O)C#N)CC1(C=2C=CC=CC2C=CN1C(C=1C=CC=CC1)=O)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.762903 |
