| SpectraBase Compound ID | ENuhwIXOW1n |
|---|---|
| InChI | InChI=1S/C38H37N5.Ni/c1-3-5-14-27-30-17-19-32(40-30)29(16-10-11-25-39)33-20-18-31(41-33)28(15-6-4-2)35-22-24-37(43-35)38(26-12-8-7-9-13-26)36-23-21-34(27)42-36;/h7-9,12-13,17-24H,3-6,10-11,14-16H2,1-2H3;/q-2;+4/b30-27-,31-28-,32-29-,33-29-,34-27-,35-28-,38-36-,38-37-; |
| InChIKey | FARZHZGWZDTQDM-MOAFZJJTSA-N |
| Mol Weight | 622.4 g/mol |
| Molecular Formula | C38H37N5Ni |
| Exact Mass | 621.240238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kyng0PSlf9b |
|---|---|
| Name | {5,15-Dibutyl-10-(4-cyanobutyl)-20-phenylporphyrinato}nickel (ii) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 621.240238211 u |
| Formula | C38H37N5Ni |
| InChI | InChI=1S/C38H37N5.Ni/c1-3-5-14-27-30-17-19-32(40-30)29(16-10-11-25-39)33-20-18-31(41-33)28(15-6-4-2)35-22-24-37(43-35)38(26-12-8-7-9-13-26)36-23-21-34(27)42-36;/h7-9,12-13,17-24H,3-6,10-11,14-16H2,1-2H3;/q-2;+4/b30-27-,31-28-,32-29-,33-29-,34-27-,35-28-,38-36-,38-37-; |
| InChIKey | FARZHZGWZDTQDM-MOAFZJJTSA-N |
| Molecular Weight | 622.442 g/mol |
| SMILES | C1=2N3[Ni+2]N4C(C(=C5N=C(C2CCCC)C=C5)C=2C=CC=CC2)=CC=C4C(=C2N=C(C(=C3C=C1)CCCC#N)C=C2)CCCC |