| SpectraBase Compound ID | 1hN9S64qBWA |
|---|---|
| InChI | InChI=1S/C17H16Cl3N3O5/c1-8-12(24)23-11-5-3-2-4-9(11)16(14(23)21-8)6-10(13(25)28-16)22-15(26)27-7-17(18,19)20/h2-5,8,10,14,21H,6-7H2,1H3,(H,22,26)/t8-,10+,14-,16-/m0/s1 |
| InChIKey | LQXXWHOWSCFNMT-LUIYHGJKSA-N |
| Mol Weight | 448.69 g/mol |
| Molecular Formula | C17H16Cl3N3O5 |
| Exact Mass | 447.015554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9M18KADRwK6 |
|---|---|
| Name | LQXXWHOWSCFNMT-LUIYHGJKSA-N |
| Compound Number | 36A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H16Cl3N3O5 |
| InChI | InChI=1S/C17H16Cl3N3O5/c1-8-12(24)23-11-5-3-2-4-9(11)16(14(23)21-8)6-10(13(25)28-16)22-15(26)27-7-17(18,19)20/h2-5,8,10,14,21H,6-7H2,1H3,(H,22,26)/t8-,10+,14-,16-/m0/s1 |
| InChIKey | LQXXWHOWSCFNMT-LUIYHGJKSA-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 | 448.690 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25409 |