![5,15-{[[4-(tert-Butyl)-2-(N,N-dimethylcarbamoyl)thio-1,3-phenylene]bis(trimethyleneoxy)]di-2,1-phenylene}-10,20-(undecamethylenedioxydi-2,1-phenylene)porphyrin](/api/spectrum/2xUDZj7Ac15/structure.png?h=300&w=458 "5,15-{[[4-(tert-Butyl)-2-(N,N-dimethylcarbamoyl)thio-1,3-phenylene]bis(trimethyleneoxy)]di-2,1-phenylene}-10,20-(undecamethylenedioxydi-2,1-phenylene)porphyrin")
| SpectraBase Compound ID | CUmycecyfK |
|---|---|
| InChI | InChI=1S/C74H77N5O5S/c1-74(2,3)55-36-35-49-25-23-47-83-66-33-19-15-28-53(66)70-60-41-37-56(75-60)68-51-26-13-17-31-64(51)81-45-21-11-9-7-6-8-10-12-22-46-82-65-32-18-14-27-52(65)69(57-38-42-61(70)76-57)59-40-44-63(78-59)71(62-43-39-58(68)77-62)54-29-16-20-34-67(54)84-48-24-30-50(55)72(49)85-73(80)79(4)5/h13-20,26-29,31-44,75,78H,6-12,21-25,30,45-48H2,1-5H3/b68-56-,68-58+,69-57+,69-59+,70-60-,70-61+,71-62+,71-63+ |
| InChIKey | RAPNSXPRDODVKD-NQNHJRBXSA-N |
| Mol Weight | 1148.5 g/mol |
| Molecular Formula | C74H77N5O5S |
| Exact Mass | 1147.564542 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2xUDZj7Ac15 |
|---|---|
| Name | 5,15-{[[4-(tert-Butyl)-2-(N,N-dimethylcarbamoyl)thio-1,3-phenylene]bis(trimethyleneoxy)]di-2,1-phenylene}-10,20-(undecamethylenedioxydi-2,1-phenylene)porphyrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C74H77N5O5S |
| InChI | InChI=1S/C74H77N5O5S/c1-74(2,3)55-36-35-49-25-23-47-83-66-33-19-15-28-53(66)70-60-41-37-56(75-60)68-51-26-13-17-31-64(51)81-45-21-11-9-7-6-8-10-12-22-46-82-65-32-18-14-27-52(65)69(57-38-42-61(70)76-57)59-40-44-63(78-59)71(62-43-39-58(68)77-62)54-29-16-20-34-67(54)84-48-24-30-50(55)72(49)85-73(80)79(4)5/h13-20,26-29,31-44,75,78H,6-12,21-25,30,45-48H2,1-5H3/b68-56-,68-58+,69-57+,69-59+,70-60-,70-61+,71-62+,71-63+ |
| InChIKey | RAPNSXPRDODVKD-NQNHJRBXSA-N |
| Molecular Weight | 1148.520 g/mol |
| SMILES | [nH]1c2c-3c4nc(c5-c6c(OCCCc7c(c(CCCOc8c(-c(c9nc(c(c%10ccc5[nH]%10)-c5c(OCCCCCCCCCCCOc%10c3cccc%10)cccc5)cc9)c1cc2)cccc8)c(cc7)C(C)(C)C)SC(N(C)C)=O)cccc6)cc4 |
| SPLASH | splash10-004j-9800000010-aeab6054a8991ae39316 |
| Source of Spectrum | H-70-1191-30 |
| Wiley ID | 1418634 |