| SpectraBase Compound ID | eMGYBqcL6O |
|---|---|
| InChI | InChI=1S/C20H22Cl3N3O5/c1-10(2)7-12-15(27)26-14-6-4-3-5-11(14)19(17(26)24-12)8-13(16(28)31-19)25-18(29)30-9-20(21,22)23/h3-6,10,12-13,17,24H,7-9H2,1-2H3,(H,25,29)/t12-,13+,17+,19+/m0/s1 |
| InChIKey | DOLJNXDVEYFWHC-CKFGLLJZSA-N |
| Mol Weight | 490.77 g/mol |
| Molecular Formula | C20H22Cl3N3O5 |
| Exact Mass | 489.062504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArmqUGHTRXx |
|---|---|
| Name | DOLJNXDVEYFWHC-CKFGLLJZSA-N |
| Compound Number | 42B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H22Cl3N3O5 |
| InChI | InChI=1S/C20H22Cl3N3O5/c1-10(2)7-12-15(27)26-14-6-4-3-5-11(14)19(17(26)24-12)8-13(16(28)31-19)25-18(29)30-9-20(21,22)23/h3-6,10,12-13,17,24H,7-9H2,1-2H3,(H,25,29)/t12-,13+,17+,19+/m0/s1 |
| InChIKey | DOLJNXDVEYFWHC-CKFGLLJZSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 490.771 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25443 |