| SpectraBase Compound ID | KsCqb3hM3s6 |
|---|---|
| InChI | InChI=1S/C36H50N4/c1-5-9-13-25-29-17-19-31(37-29)26(14-10-6-2)33-21-23-35(39-33)28(16-12-8-4)36-24-22-34(40-36)27(15-11-7-3)32-20-18-30(25)38-32/h17,19,22,24,37,40H,5-16,18,20-21,23H2,1-4H3/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28- |
| InChIKey | OFXMQBACCFXZQB-ZZPYRCORSA-N |
| Mol Weight | 538.8 g/mol |
| Molecular Formula | C36H50N4 |
| Exact Mass | 538.403548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6U7UMwH4QT2 |
|---|---|
| Name | 5,10,15,20-Tetra(N-butyl)bacteriochlorin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 538.403547626 u |
| Formula | C36H50N4 |
| InChI | InChI=1S/C36H50N4/c1-5-9-13-25-29-17-19-31(37-29)26(14-10-6-2)33-21-23-35(39-33)28(16-12-8-4)36-24-22-34(40-36)27(15-11-7-3)32-20-18-30(25)38-32/h17,19,22,24,37,40H,5-16,18,20-21,23H2,1-4H3/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28- |
| InChIKey | OFXMQBACCFXZQB-ZZPYRCORSA-N |
| Molecular Weight | 538.824 g/mol |
| SMILES | C1=2N=C(C(=C3NC(=C(C=4CCC(=C(C=5NC(C2CCCC)=CC5)CCCC)N4)CCCC)C=C3)CCCC)CC1 |