| SpectraBase Spectrum ID |
GnE3B0jWNa0 |
| Name |
3,3'-Methylene-bis[4''-(benzylamino)-1'',2''-naphthalenedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.189257321 u |
| Formula |
C35H26N2O4 |
| InChI |
InChI=1S/C35H26N2O4/c38-32-26-17-9-7-15-24(26)30(36-20-22-11-3-1-4-12-22)28(34(32)40)19-29-31(37-21-23-13-5-2-6-14-23)25-16-8-10-18-27(25)33(39)35(29)41/h1-18,36-37H,19-21H2 |
| InChIKey |
UWSQCLRMUKLVTJ-UHFFFAOYSA-N |
| Molecular Weight |
538.603 g/mol |
| SMILES |
C1(=C(C2=CC=CC=C2C(C1=O)=O)NCC1=CC=CC=C1)CC1=C(C=2C=CC=CC2C(C1=O)=O)NCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951954 |
