| SpectraBase Compound ID | 7EWnWt5faX7 |
|---|---|
| InChI | InChI=1S/C46H43N5/c1-4-5-6-13-18-35-36-23-25-38(47-36)44(31-14-9-7-10-15-31)40-27-29-42(49-40)46(33-19-21-34(22-20-33)51(2)3)43-30-28-41(50-43)45(32-16-11-8-12-17-32)39-26-24-37(35)48-39/h7-12,14-17,19-30,47,50H,4-6,13,18H2,1-3H3/b36-35-,37-35-,44-38-,44-40-,45-39-,45-41-,46-42-,46-43- |
| InChIKey | JOHYIXDZMWHOIC-OOMNEMIWSA-N |
| Mol Weight | 665.9 g/mol |
| Molecular Formula | C46H43N5 |
| Exact Mass | 665.351846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PvMr2tPlqB |
|---|---|
| Name | 5-(4-Dimethylaminophenyl)-15-hexyl-10,20-diphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 665.351846405 u |
| Formula | C46H43N5 |
| InChI | InChI=1S/C46H43N5/c1-4-5-6-13-18-35-36-23-25-38(47-36)44(31-14-9-7-10-15-31)40-27-29-42(49-40)46(33-19-21-34(22-20-33)51(2)3)43-30-28-41(50-43)45(32-16-11-8-12-17-32)39-26-24-37(35)48-39/h7-12,14-17,19-30,47,50H,4-6,13,18H2,1-3H3/b36-35-,37-35-,44-38-,44-40-,45-39-,45-41-,46-42-,46-43- |
| InChIKey | JOHYIXDZMWHOIC-OOMNEMIWSA-N |
| Molecular Weight | 665.885 g/mol |
| SMILES | C1=2N=C(C(=C3NC(=C(CCCCCC)C4=NC(=C(C=5NC(C2C=2C=CC(=CC2)N(C)C)=CC5)C2=CC=CC=C2)C=C4)C=C3)C=2C=CC=CC2)C=C1 |