| SpectraBase Spectrum ID |
IRR1qXletjA |
| Name |
Diimide of 3,4,9,10-perylenetetracarboxylic acid with 4-phenylazoaniline |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
750.201553337 u |
| Formula |
C48H26N6O4 |
| InChI |
InChI=1S/C48H26N6O4/c55-45-37-23-19-33-35-21-25-39-44-40(48(58)54(47(39)57)32-17-13-30(14-18-32)52-50-28-9-5-2-6-10-28)26-22-36(42(35)44)34-20-24-38(43(37)41(33)34)46(56)53(45)31-15-11-29(12-16-31)51-49-27-7-3-1-4-8-27/h1-26H |
| InChIKey |
PXUJYZVHENREBB-UHFFFAOYSA-N |
| Molecular Weight |
750.774 g/mol |
| SMILES |
C1=2C3=C4C(C=5C2C2=C(C=C1)C(N(C(C2=CC5)=O)C1=CC=C(C=C1)N=NC1=CC=CC=C1)=O)=CC=C1C4=C(C=C3)C(N(C1=O)C1=CC=C(C=C1)N=NC1=CC=CC=C1)=O |
