| SpectraBase Compound ID | ENZ3oaOPp82 |
|---|---|
| InChI | InChI=1S/C46H58N4/c1-9-11-13-15-17-36-38-21-19-34(47-38)30-35-20-22-42(48-35)44(31-27-32(45(3,4)5)29-33(28-31)46(6,7)8)43-26-25-41(50-43)37(18-16-14-12-10-2)40-24-23-39(36)49-40/h19-30,48-49H,9-18H2,1-8H3/b34-30-,35-30-,38-36-,39-36-,40-37-,41-37-,44-42-,44-43- |
| InChIKey | GQFZGKIWBJXCFL-KYBMUTNHSA-N |
| Mol Weight | 667.0 g/mol |
| Molecular Formula | C46H58N4 |
| Exact Mass | 666.466148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDQVmwfEd1n |
|---|---|
| Name | 5-(3,5-di-Tert-butylphenyl)-10,15-dihexylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 666.466147884 u |
| Formula | C46H58N4 |
| InChI | InChI=1S/C46H58N4/c1-9-11-13-15-17-36-38-21-19-34(47-38)30-35-20-22-42(48-35)44(31-27-32(45(3,4)5)29-33(28-31)46(6,7)8)43-26-25-41(50-43)37(18-16-14-12-10-2)40-24-23-39(36)49-40/h19-30,48-49H,9-18H2,1-8H3/b34-30-,35-30-,38-36-,39-36-,40-37-,41-37-,44-42-,44-43- |
| InChIKey | GQFZGKIWBJXCFL-KYBMUTNHSA-N |
| Molecular Weight | 666.998 g/mol |
| SMILES | C12=C(C=3NC(C=C4N=C(C(=C5NC(=C(C(=N2)C=C1)CCCCCC)C=C5)CCCCCC)C=C4)=CC3)C=1C=C(C(C)(C)C)C=C(C1)C(C)(C)C |