![5,10 : 15,20-bis[ 2',5'-Dimethoxybenzene-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin](/api/spectrum/AItsEbgb8rS/structure.png?h=300&w=458 "5,10 : 15,20-bis[ 2',5'-Dimethoxybenzene-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin")
| SpectraBase Compound ID | I5qgv5UYsXU |
|---|---|
| InChI | InChI=1S/C76H74N4O4/c1-81-69-45-54-30-10-6-22-50-26-14-18-34-58(50)74-63-41-43-67(79-63)75-59-35-19-15-27-51(59)23-7-11-31-55-48-72(84-4)56(47-71(55)83-3)32-12-8-24-52-28-16-20-36-60(52)76(68-44-42-64(74)80-68)66-40-38-62(78-66)73(61-37-39-65(75)77-61)57-33-17-13-25-49(57)21-5-9-29-53(69)46-70(54)82-2/h13-20,25-28,33-48,77,80H,5-12,21-24,29-32H2,1-4H3/b73-61-,73-62-,74-63-,74-64-,75-65?,75-67?,76-66?,76-68? |
| InChIKey | AKVDYRDNUAYFKW-POQBTSGDSA-N |
| Mol Weight | 1107.5 g/mol |
| Molecular Formula | C76H74N4O4 |
| Exact Mass | 1106.571007 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AItsEbgb8rS |
|---|---|
| Name | 5,10 : 15,20-bis[ 2',5'-Dimethoxybenzene-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin |
| CAS Registry Number | 104182-02-7 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C76H74N4O4 |
| InChI | InChI=1S/C76H74N4O4/c1-81-69-45-54-30-10-6-22-50-26-14-18-34-58(50)74-63-41-43-67(79-63)75-59-35-19-15-27-51(59)23-7-11-31-55-48-72(84-4)56(47-71(55)83-3)32-12-8-24-52-28-16-20-36-60(52)76(68-44-42-64(74)80-68)66-40-38-62(78-66)73(61-37-39-65(75)77-61)57-33-17-13-25-49(57)21-5-9-29-53(69)46-70(54)82-2/h13-20,25-28,33-48,77,80H,5-12,21-24,29-32H2,1-4H3/b73-61-,73-62-,74-63-,74-64-,75-65?,75-67?,76-66?,76-68? |
| InChIKey | AKVDYRDNUAYFKW-POQBTSGDSA-N |
| Molecular Weight | 1107.452 g/mol |
| SMILES | [nH]1c2c-3c4nc(c5-c6c(CCCCc7cc(c(CCCCc8c(-c(c9nc(c(c%10ccc5[nH]%10)-c5c(CCCCc%10cc(c(CCCCc%11c3cccc%11)cc%10OC)OC)cccc5)cc9)c1cc2)cccc8)cc7OC)OC)cccc6)cc4 |
| SPLASH | splash10-0a4i-0900020000-02c1bb9e0b19a2c35272 |
| Source of Spectrum | K-125-2282-10 |
| Synonyms | 19,48,66,74-tetramethoxy-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),7,9,11,17,19,25(30),26,28,31,33,35,37(42),38,40,47(67),48,50(66),55(60),56,58,62,64,68(76),69,73-nonacosaene 5,15 : 10,20-bis[2',5'-dimethoxybenzene-1,4-diyl-bis(4,1-butanediyl-2,1-benzeno]-porphyrin |
| Wiley ID | 1418587 |