| SpectraBase Compound ID | 2QQG4wOBnKC |
|---|---|
| InChI | InChI=1S/C40H58N4/c1-9-25(10-2)37-29-17-19-31(41-29)38(26(11-3)12-4)33-21-23-35(43-33)40(28(15-7)16-8)36-24-22-34(44-36)39(27(13-5)14-6)32-20-18-30(37)42-32/h17,19,22,24-28,41,44H,9-16,18,20-21,23H2,1-8H3/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36- |
| InChIKey | XDXKJEBJBBPTDX-KHQKEXQOSA-N |
| Mol Weight | 594.9 g/mol |
| Molecular Formula | C40H58N4 |
| Exact Mass | 594.466148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErhCuAEjDuo |
|---|---|
| Name | 5,10,15,20-Tetra(1-ethylpropyl)bateriochlorin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.466147884 u |
| Formula | C40H58N4 |
| InChI | InChI=1S/C40H58N4/c1-9-25(10-2)37-29-17-19-31(41-29)38(26(11-3)12-4)33-21-23-35(43-33)40(28(15-7)16-8)36-24-22-34(44-36)39(27(13-5)14-6)32-20-18-30(37)42-32/h17,19,22,24-28,41,44H,9-16,18,20-21,23H2,1-8H3/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36- |
| InChIKey | XDXKJEBJBBPTDX-KHQKEXQOSA-N |
| Molecular Weight | 594.932 g/mol |
| SMILES | C=12NC(C(=C3N=C(C(C(CC)CC)=C4NC(=C(C5=NC(=C2C(CC)CC)CC5)C(CC)CC)C=C4)CC3)C(CC)CC)=CC1 |