![10-{2-[3,4''-Bis(hexoxy)-2,2':5',2''-terthiophen-3'yl]vinyl}-5,15-diphenylporphyrin](/api/spectrum/LnoH8p4F5lr/structure.png?h=300&w=458 "10-{2-[3,4''-Bis(hexoxy)-2,2':5',2''-terthiophen-3'yl]vinyl}-5,15-diphenylporphyrin")
| SpectraBase Compound ID | 2tbuTPDY99T |
|---|---|
| InChI | InChI=1S/C58H54N4O2S3/c1-3-5-7-15-32-63-44-37-53(66-38-44)54-35-41(57(67-54)58-52(31-34-65-58)64-33-16-8-6-4-2)21-24-45-46-27-29-50(61-46)55(39-17-11-9-12-18-39)48-25-22-42(59-48)36-43-23-26-49(60-43)56(40-19-13-10-14-20-40)51-30-28-47(45)62-51/h9-14,17-31,34-38,59,62H,3-8,15-16,32-33H2,1-2H3/b24-21+,42-36-,43-36-,46-45-,47-45-,55-48-,55-50-,56-49-,56-51- |
| InChIKey | AJBUNWCMRMIWOZ-CKMUARGYSA-N |
| Mol Weight | 935.3 g/mol |
| Molecular Formula | C58H54N4O2S3 |
| Exact Mass | 934.340891 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LnoH8p4F5lr |
|---|---|
| Name | 10-{2-[3,4''-Bis(hexoxy)-2,2':5',2''-terthiophen-3'yl]vinyl}-5,15-diphenylporphyrin |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C58H54N4O2S3 |
| InChI | InChI=1S/C58H54N4O2S3/c1-3-5-7-15-32-63-44-37-53(66-38-44)54-35-41(57(67-54)58-52(31-34-65-58)64-33-16-8-6-4-2)21-24-45-46-27-29-50(61-46)55(39-17-11-9-12-18-39)48-25-22-42(59-48)36-43-23-26-49(60-43)56(40-19-13-10-14-20-40)51-30-28-47(45)62-51/h9-14,17-31,34-38,59,62H,3-8,15-16,32-33H2,1-2H3/b24-21+,42-36-,43-36-,46-45-,47-45-,55-48-,55-50-,56-49-,56-51- |
| InChIKey | AJBUNWCMRMIWOZ-CKMUARGYSA-N |
| Molecular Weight | 935.276 g/mol |
| SMILES | [nH]1c2c(c3nc(c(c4ccc(cc5nc(c(c1cc2)-c1ccccc1)cc5)[nH]4)-c1ccccc1)cc3)\C=C\c1c(sc(-c2cc(OCCCCCC)cs2)c1)-c1c(ccs1)OCCCCCC |
| SPLASH | splash10-0019-0000000009-65e3b139aa13680695b1 |
| Source of Spectrum | U1-2010-4434-24 |
| Wiley ID | 1664273 |