![10,15,20-Tris[3'',5''-di(T-butyl)phenyl]-5-(4'-formylphenyl)porphyrine](/api/spectrum/GFkq9fzp2Du/structure.png?h=300&w=458 "10,15,20-Tris[3'',5''-di(T-butyl)phenyl]-5-(4'-formylphenyl)porphyrine")
| SpectraBase Compound ID | 8fQhiXmZsGi |
|---|---|
| InChI | InChI=1S/C69H78N4O/c1-64(2,3)46-31-43(32-47(37-46)65(4,5)6)61-54-25-23-52(70-54)60(42-21-19-41(40-74)20-22-42)53-24-26-55(71-53)62(44-33-48(66(7,8)9)38-49(34-44)67(10,11)12)57-28-30-59(73-57)63(58-29-27-56(61)72-58)45-35-50(68(13,14)15)39-51(36-45)69(16,17)18/h19-40,70,73H,1-18H3/b60-52-,60-53-,61-54-,61-56-,62-55-,62-57-,63-58-,63-59- |
| InChIKey | XYJSRSTWOJHYON-SWPMMZLJSA-N |
| Mol Weight | 979.4 g/mol |
| Molecular Formula | C69H78N4O |
| Exact Mass | 978.617563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFkq9fzp2Du |
|---|---|
| Name | 10,15,20-Tris[3'',5''-di(T-butyl)phenyl]-5-(4'-formylphenyl)porphyrine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 978.617563147 u |
| Formula | C69H78N4O |
| InChI | InChI=1S/C69H78N4O/c1-64(2,3)46-31-43(32-47(37-46)65(4,5)6)61-54-25-23-52(70-54)60(42-21-19-41(40-74)20-22-42)53-24-26-55(71-53)62(44-33-48(66(7,8)9)38-49(34-44)67(10,11)12)57-28-30-59(73-57)63(58-29-27-56(61)72-58)45-35-50(68(13,14)15)39-51(36-45)69(16,17)18/h19-40,70,73H,1-18H3/b60-52-,60-53-,61-54-,61-56-,62-55-,62-57-,63-58-,63-59- |
| InChIKey | XYJSRSTWOJHYON-SWPMMZLJSA-N |
| Molecular Weight | 979.410 g/mol |
| SMILES | C12=C(C=3NC(C(=C4N=C(C(=C5NC(=C(C(=N2)C=C1)C1=CC(C(C)(C)C)=CC(=C1)C(C)(C)C)C=C5)C=1C=C(C(C)(C)C)C=C(C1)C(C)(C)C)C=C4)C1=CC=C(C=O)C=C1)=CC3)C=1C=C(C(C)(C)C)C=C(C1)C(C)(C)C |