| SpectraBase Compound ID | 35mRu80XbYf |
|---|---|
| InChI | InChI=1S/C17H18ClN3O4/c1-3-9-21-16(23)14(15(22)20-17(21)24)11(2)19-8-10-25-13-7-5-4-6-12(13)18/h3-7,19H,1,8-10H2,2H3,(H,20,22,24)/b14-11+ |
| InChIKey | OPCYOQBOELWVIT-SDNWHVSQSA-N |
| Mol Weight | 363.8 g/mol |
| Molecular Formula | C17H18ClN3O4 |
| Exact Mass | 363.098584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbJa6NfeiZH |
|---|---|
| Name | EXO-ENOL-TAUTOMER-1 |
| Compound Number | 33B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H18ClN3O4 |
| InChI | InChI=1S/C17H18ClN3O4/c1-3-9-21-16(23)14(15(22)20-17(21)24)11(2)19-8-10-25-13-7-5-4-6-12(13)18/h3-7,19H,1,8-10H2,2H3,(H,20,22,24)/b14-11+ |
| InChIKey | OPCYOQBOELWVIT-SDNWHVSQSA-N |
| Literature Reference Author | Y.C.JEONG,M.G.MOLONEY |
| Literature Reference Citation | MOLECULES,20,3582(2015) |
| Literature Reference DOI | 10.3390/molecules20033582 |
| Molecular Weight | 363.801 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA2266 |