![5,15 : 10,20-bis[p-Benzoquinone-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin](/api/spectrum/F4Q5PF8vCCv/structure.png?h=300&w=458 "5,15 : 10,20-bis[p-Benzoquinone-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin")
| SpectraBase Compound ID | K9oh1nkNtgZ |
|---|---|
| InChI | InChI=1S/C72H62N4O4/c77-65-42-50-26-6-2-18-48-24-12-16-32-56(48)72-63-39-37-61(75-63)70-54-30-14-10-22-46(54)19-3-7-27-51-43-68(80)52(44-67(51)79)28-8-4-20-47-23-11-15-31-55(47)71(62-38-40-64(72)76-62)60-36-34-58(74-60)69(57-33-35-59(70)73-57)53-29-13-9-21-45(53)17-1-5-25-49(65)41-66(50)78/h9-16,21-24,29-44,73,76H,1-8,17-20,25-28H2/b69-57-,69-58-,70-59?,70-61?,71-60?,71-62?,72-63-,72-64- |
| InChIKey | NOHLMHCPDIRXAP-ZLWCADETSA-N |
| Mol Weight | 1047.3 g/mol |
| Molecular Formula | C72H62N4O4 |
| Exact Mass | 1046.477106 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F4Q5PF8vCCv |
|---|---|
| Name | 5,15 : 10,20-bis[p-Benzoquinone-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin |
| Alternate Name(s) | 65,72,75,76-tetraazatridecacyclo[29.29.4.4(6,36).2(17,20).2(47,50).1(2,5).1(32,35).1(61,64).0(7,12).0(25,30).0(37,42).0(55,60).1(68,71)]hexaheptaconta-1(61),2,4,6(71),7(12),8,10,17(74),19,25(30),26,28,31,33,35,37(42),38,40,47(67),49,55,57,59,62,64,68(76),69-heptacosaene-18,48,66,73-tetrone |
| CAS Registry Number | 91295-89-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H62N4O4 |
| InChI | InChI=1S/C72H62N4O4/c77-65-42-50-26-6-2-18-48-24-12-16-32-56(48)72-63-39-37-61(75-63)70-54-30-14-10-22-46(54)19-3-7-27-51-43-68(80)52(44-67(51)79)28-8-4-20-47-23-11-15-31-55(47)71(62-38-40-64(72)76-62)60-36-34-58(74-60)69(57-33-35-59(70)73-57)53-29-13-9-21-45(53)17-1-5-25-49(65)41-66(50)78/h9-16,21-24,29-44,73,76H,1-8,17-20,25-28H2/b69-57-,69-58-,70-59?,70-61?,71-60?,71-62?,72-63-,72-64- |
| InChIKey | NOHLMHCPDIRXAP-ZLWCADETSA-N |
| Molecular Weight | 1047.312 g/mol |
| SMILES | [nH]1c2c-3c4nc(c5-c6c(CCCCC=7C(C=C(CCCCc8c(-c(c9nc(c(c%10ccc5[nH]%10)-c5c(CCCCC=%10C(C=C(CCCCc%11c3cccc%11)C(C%10)=O)=O)cccc5)cc9)c1cc2)cccc8)C(C7)=O)=O)cccc6)cc4 |
| SPLASH | splash10-000w-4931000000-d410ec7a8c408dfe66ff |
| Source of Spectrum | K-125-2282-1 |
| Wiley ID | 1418501 |