| SpectraBase Compound ID | LHX9I4Dq1gh |
|---|---|
| InChI | InChI=1S/C21H19N3O4.C8H6O4/c25-18-14-6-1-2-7-15(14)19(26)23(18)12-5-10-22-11-13-24-20(27)16-8-3-4-9-17(16)21(24)28;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,6-9,22H,5,10-13H2;1-4H,(H,9,10)(H,11,12) |
| InChIKey | RSYPXWWUQMUQKX-UHFFFAOYSA-N |
| Mol Weight | 543.53 g/mol |
| Molecular Formula | C29H25N3O8 |
| Exact Mass | 543.164165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ej8lTx14MAb |
|---|---|
| Name | (2-PHTHALIMIDOETHYL)-(3-PHTHALIMIDOPROP-1-YL)-AMMONIUM-HYDROGEN-PHTHALATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H25N3O8 |
| InChI | InChI=1S/C21H19N3O4.C8H6O4/c25-18-14-6-1-2-7-15(14)19(26)23(18)12-5-10-22-11-13-24-20(27)16-8-3-4-9-17(16)21(24)28;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,6-9,22H,5,10-13H2;1-4H,(H,9,10)(H,11,12) |
| InChIKey | RSYPXWWUQMUQKX-UHFFFAOYSA-N |
| Literature Reference Author | B.DRAHOS,Z.TRAVNICEK |
| Literature Reference Citation | MOLECULES,18,13940(2013) |
| Literature Reference DOI | 10.3390/molecules181113940 |
| Molecular Weight | 543.533 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR9892 |