| SpectraBase Spectrum ID |
2NSR9WD1Poq |
| Name |
5-(4'-formylphenyl)-10,15,20-tri(4"-tolyl)porphyrine |
| CAS Registry Number |
119770-81-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H36N4O |
| InChI |
InChI=1S/C48H36N4O/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35/h4-28,49,52H,1-3H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44- |
| InChIKey |
MQJVXCWFOYTOOP-PJEPRTEXSA-N |
| Molecular Weight |
684.843 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)C)cc4)-c2ccc(cc2)C)cc3)-c2ccc(C=O)cc2)cc1)-c1ccc(cc1)C |
| SPLASH |
splash10-001r-0000009000-68af169723f6eb21d4be |
| Source of Spectrum |
K-123-1355-4 |
| Synonyms |
4-[7,12,17-tris(4-methylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]benzaldehyde |
| Wiley ID |
1414498 |
