| SpectraBase Compound ID | ev1ATdTPkL |
|---|---|
| InChI | InChI=1S/C28H20BBrN6O2/c30-13-14-37-15-16-38-29-34-23-17-7-1-2-8-18(17)24(34)32-26-21-11-5-6-12-22(21)28(36(26)29)33-27-20-10-4-3-9-19(20)25(31-23)35(27)29/h1-12H,13-16H2 |
| InChIKey | PALGRDDMJZXVDG-UHFFFAOYSA-N |
| Mol Weight | 563.2 g/mol |
| Molecular Formula | C28H20BBrN6O2 |
| Exact Mass | 562.092415 g/mol |
11B Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lRRtZZeYLG |
|---|---|
| Name | 2-(2-BROMOETHOXY)-ETHOXY-BORON-SUBPHTHALOCYANINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H20BBrN6O2 |
| InChI | InChI=1S/C28H20BBrN6O2/c30-13-14-37-15-16-38-29-34-23-17-7-1-2-8-18(17)24(34)32-26-21-11-5-6-12-22(21)28(36(26)29)33-27-20-10-4-3-9-19(20)25(31-23)35(27)29/h1-12H,13-16H2 |
| InChIKey | PALGRDDMJZXVDG-UHFFFAOYSA-N |
| Literature Reference Author | C.BONNIER,T.P.BENDER |
| Literature Reference Citation | MOLECULES,20,18237(2015) |
| Literature Reference DOI | 10.3390/molecules201018237 |
| Solvent | CDCl3 |
| Source File Reference | UWPA5300 |
| SpectraBase Batch ID | 8wNu2qJRjEQ |