![N-(1)-CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINO)-ETHOXY]-PHENOXAZINE](/api/spectrum/75v8qM9LnQL/structure.png?h=300&w=458 "N-(1)-CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINO)-ETHOXY]-PHENOXAZINE")
| SpectraBase Compound ID | 7wOoGYQFX5U |
|---|---|
| InChI | InChI=1S/C31H28N6O9/c38-25(39)17-37-16-24-27(34-29(37)40)33-26-22(12-7-13-23(26)46-24)43-15-14-32-28(35-30(41)44-18-20-8-3-1-4-9-20)36-31(42)45-19-21-10-5-2-6-11-21/h1-13,16H,14-15,17-19H2,(H,38,39)(H,33,34,40)(H2,32,35,36,41,42) |
| InChIKey | MHCPRUCIVXGJTJ-UHFFFAOYSA-N |
| Mol Weight | 628.6 g/mol |
| Molecular Formula | C31H28N6O9 |
| Exact Mass | 628.191776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75v8qM9LnQL |
|---|---|
| Name | N-(1)-CARBOXYMETHYL-6-[2-(N,N'-BIS-Z-GUANIDINO)-ETHOXY]-PHENOXAZINE |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H28N6O9 |
| InChI | InChI=1S/C31H28N6O9/c38-25(39)17-37-16-24-27(34-29(37)40)33-26-22(12-7-13-23(26)46-24)43-15-14-32-28(35-30(41)44-18-20-8-3-1-4-9-20)36-31(42)45-19-21-10-5-2-6-11-21/h1-13,16H,14-15,17-19H2,(H,38,39)(H,33,34,40)(H2,32,35,36,41,42) |
| InChIKey | MHCPRUCIVXGJTJ-UHFFFAOYSA-N |
| Literature Reference Author | C.AUSIN,J.A.ORTEGA,J.ROBLES,A.GRANDAS,E.PEDROSO |
| Literature Reference Citation | ORG.LETTERS,4,4073(2002) |
| Literature Reference DOI | 10.1021/ol026815p |
| Molecular Weight | 628.598 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ25143 |