| SpectraBase Spectrum ID |
HfRpg6U0jNi |
| Name |
5,15 -[p-Benzoquinone-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno)]-10,20-dimethoxybenzene-1,4-diyl bis(4,1-butanediyl-2,1-benzeno)] -porphyrin |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1076.524056682 u |
| Formula |
C74H68N4O4 |
| InChI |
InChI=1S/C74H68N4O4/c1-81-69-45-54-30-10-6-22-50-26-14-18-34-58(50)74-65-41-37-61(77-65)71-55-31-15-11-23-47(55)19-3-7-27-51-43-68(80)52(44-67(51)79)28-8-4-20-48-24-12-16-32-56(48)72(62-38-42-66(74)78-62)60-36-40-64(76-60)73(63-39-35-59(71)75-63)57-33-17-13-25-49(57)21-5-9-29-53(69)46-70(54)82-2/h11-18,23-26,31-46,75,78H,3-10,19-22,27-30H2,1-2H3/b71-59?,71-61?,72-60?,72-62?,73-63-,73-64-,74-65-,74-66- |
| InChIKey |
VQUAAMKRATVBDR-ZOCSSIFZSA-N |
| Molecular Weight |
1077.382 g/mol |
| SMILES |
C12=C3N=C(C4=C5NC(C=C5)=C(C5=NC(=C(C=6NC1=CC6)C1=C(CCCCC6=CC(C(=CC6=O)CCCCC6=C4C=CC=C6)=O)C=CC=C1)C=C5)C1=C(C=CC=C1)CCCCC1=C(C=C(C(=C1)OC)CCCCC=1C2=CC=CC1)OC)C=C3 |
![5,15 -[p-Benzoquinone-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno)]-10,20-dimethoxybenzene-1,4-diyl bis(4,1-butanediyl-2,1-benzeno)] -porphyrin](/api/spectrum/HfRpg6U0jNi/structure.png?h=300&w=458 "5,15 -[p-Benzoquinone-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno)]-10,20-dimethoxybenzene-1,4-diyl bis(4,1-butanediyl-2,1-benzeno)] -porphyrin")
