| SpectraBase Compound ID | 5HgivsGNSuY |
|---|---|
| InChI | InChI=1S/C79H72N8/c1-4-7-14-33-55-59-36-38-61(80-59)56(34-15-8-5-2)63-40-42-71(82-63)78(72-43-41-64(83-72)57(35-16-9-6-3)62-39-37-60(55)81-62)58-50-73-76(53-29-21-12-22-30-53)69-47-46-67(85-69)74(51-25-17-10-18-26-51)65-44-45-66(84-65)75(52-27-19-11-20-28-52)68-48-49-70(86-68)77(79(58)87-73)54-31-23-13-24-32-54/h10-13,17-32,36-50,80,83,85-86H,4-9,14-16,33-35H2,1-3H3/b59-55-,60-55-,61-56-,62-57-,63-56-,64-57-,74-65-,74-67-,75-66-,75-68-,76-69-,76-73-,77-70-,78-71-,78-72-,79-77- |
| InChIKey | XJHBKVFINANVPY-IPYIHIDYSA-N |
| Mol Weight | 1133.5 g/mol |
| Molecular Formula | C79H72N8 |
| Exact Mass | 1132.587994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2apnHg6tzPQ |
|---|---|
| Name | .alpha.,.beta.,gamma.,.delta.-Tetraphenyl-.beta.',.gamma.',.delta.'-tripentyl-6,.alpha'.-bi(21H,23H-porphine) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C79H72N8 |
| InChI | InChI=1S/C79H72N8/c1-4-7-14-33-55-59-36-38-61(80-59)56(34-15-8-5-2)63-40-42-71(82-63)78(72-43-41-64(83-72)57(35-16-9-6-3)62-39-37-60(55)81-62)58-50-73-76(53-29-21-12-22-30-53)69-47-46-67(85-69)74(51-25-17-10-18-26-51)65-44-45-66(84-65)75(52-27-19-11-20-28-52)68-48-49-70(86-68)77(79(58)87-73)54-31-23-13-24-32-54/h10-13,17-32,36-50,80,83,85-86H,4-9,14-16,33-35H2,1-3H3/b59-55-,60-55-,61-56-,62-57-,63-56-,64-57-,74-65-,74-67-,75-66-,75-68-,76-69-,76-73-,77-70-,78-71-,78-72-,79-77- |
| InChIKey | XJHBKVFINANVPY-IPYIHIDYSA-N |
| Molecular Weight | 1133.501 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCCC)cc4)-c2c4nc(c(c5[nH]c(cc5)c(-c5ccccc5)c5nc(c(c6[nH]c(cc6)c4-c4ccccc4)-c4ccccc4)cc5)-c4ccccc4)c2)cc3)CCCCC)cc1)CCCCC |
| SPLASH | splash10-0a4i-0900000000-1607a1d1bc33dc2fcd40 |
| Source of Spectrum | Y1-45-3366-4 |
| Wiley ID | 1622060 |