| SpectraBase Compound ID | Bt0xbLgrl2c |
|---|---|
| InChI | InChI=1S/C72H58N8/c1-3-5-27-49-51-29-33-55(73-51)67(45-19-11-7-12-20-45)59-37-41-63(77-59)71(64-42-38-60(78-64)68(46-21-13-8-14-22-46)56-34-30-52(49)74-56)72-65-43-39-61(79-65)69(47-23-15-9-16-24-47)57-35-31-53(75-57)50(28-6-4-2)54-32-36-58(76-54)70(48-25-17-10-18-26-48)62-40-44-66(72)80-62/h7-26,29-44,73,75,78,80H,3-6,27-28H2,1-2H3/b51-49-,52-49-,53-50-,54-50-,67-55-,67-59-,68-56-,68-60-,69-57-,69-61-,70-58-,70-62-,71-63+,71-64+,72-65+,72-66+ |
| InChIKey | SYCUCFOTYOZLSH-ZLBWJCMJSA-N |
| Mol Weight | 1035.3 g/mol |
| Molecular Formula | C72H58N8 |
| Exact Mass | 1034.478444 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9V0VNzqWL8q |
|---|---|
| Name | Bis(15-Butyl-10,20-diphenylporphyrin-5-yl) |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H58N8 |
| InChI | InChI=1S/C72H58N8/c1-3-5-27-49-51-29-33-55(73-51)67(45-19-11-7-12-20-45)59-37-41-63(77-59)71(64-42-38-60(78-64)68(46-21-13-8-14-22-46)56-34-30-52(49)74-56)72-65-43-39-61(79-65)69(47-23-15-9-16-24-47)57-35-31-53(75-57)50(28-6-4-2)54-32-36-58(76-54)70(48-25-17-10-18-26-48)62-40-44-66(72)80-62/h7-26,29-44,73,75,78,80H,3-6,27-28H2,1-2H3/b51-49-,52-49-,53-50-,54-50-,67-55-,67-59-,68-56-,68-60-,69-57-,69-61-,70-58-,70-62-,71-63+,71-64+,72-65+,72-66+ |
| InChIKey | SYCUCFOTYOZLSH-ZLBWJCMJSA-N |
| Molecular Weight | 1035.312 g/mol |
| SMILES | [nH]1c2c(-c3c4nc(c(c5ccc([nH]5)c(c5nc(c(c6ccc3[nH]6)-c3ccccc3)cc5)CCCC)-c3ccccc3)cc4)c3nc(c(c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)CCCC)[nH]4)-c1ccccc1)cc3 |
| SPLASH | splash10-000i-9000010000-3ced6f99bc93348ebb8a |
| Source of Spectrum | AT-40-4168-10 |
| Wiley ID | 854540 |