| SpectraBase Compound ID | YZU3PFBLVJ |
|---|---|
| InChI | InChI=1S/C42H42N4/c1-3-5-7-14-20-32-35-23-27-39(45-35)41(29-15-10-8-11-16-29)37-25-21-33(43-37)31(19-6-4-2)34-22-26-38(44-34)42(30-17-12-9-13-18-30)40-28-24-36(32)46-40/h8-13,15-18,21-28,43,46H,3-7,14,19-20H2,1-2H3/b33-31-,34-31-,35-32-,36-32-,41-37-,41-39-,42-38-,42-40- |
| InChIKey | GIRFEKYJKMFMQQ-IJEINVLCSA-N |
| Mol Weight | 602.8 g/mol |
| Molecular Formula | C42H42N4 |
| Exact Mass | 602.340947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 41dhwLwFN2N |
|---|---|
| Name | 5-Butyl-15-hexyl-10,20-diphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 602.340947368 u |
| Formula | C42H42N4 |
| InChI | InChI=1S/C42H42N4/c1-3-5-7-14-20-32-35-23-27-39(45-35)41(29-15-10-8-11-16-29)37-25-21-33(43-37)31(19-6-4-2)34-22-26-38(44-34)42(30-17-12-9-13-18-30)40-28-24-36(32)46-40/h8-13,15-18,21-28,43,46H,3-7,14,19-20H2,1-2H3/b33-31-,34-31-,35-32-,36-32-,41-37-,41-39-,42-38-,42-40- |
| InChIKey | GIRFEKYJKMFMQQ-IJEINVLCSA-N |
| Molecular Weight | 602.826 g/mol |
| SMILES | C=12N=C(C(=C3NC(=C(C=4C=CC=CC4)C4=NC(=C(C=5NC(C1C1=CC=CC=C1)=CC5)CCCC)C=C4)C=C3)CCCCCC)C=C2 |