| SpectraBase Compound ID | 3FDMNGYboUe |
|---|---|
| InChI | InChI=1S/C13H17Br2N3O3.C2HF3O2/c14-9-6-8(2-3-16)7-10(15)11(9)21-5-1-4-18-13(20)12(17)19;3-2(4,5)1(6)7/h6-7H,1-5,16H2,(H2,17,19)(H,18,20);(H,6,7) |
| InChIKey | JBSXHAQHTYBFLV-UHFFFAOYSA-N |
| Mol Weight | 537.13 g/mol |
| Molecular Formula | C15H18Br2F3N3O5 |
| Exact Mass | 534.956531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fusuXqqlJH |
|---|---|
| Name | MOLOKA-IAKITAMIDE-TRIFLUOROACETATE |
| Compound Number | 1-TFA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H18Br2F3N3O5 |
| InChI | InChI=1S/C13H17Br2N3O3.C2HF3O2/c14-9-6-8(2-3-16)7-10(15)11(9)21-5-1-4-18-13(20)12(17)19;3-2(4,5)1(6)7/h6-7H,1-5,16H2,(H2,17,19)(H,18,20);(H,6,7) |
| InChIKey | JBSXHAQHTYBFLV-UHFFFAOYSA-N |
| Literature Reference Author | M.YOSHIDA,K.YAMAGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,1147(2009) |
| Literature Reference DOI | 10.1248/cpb.57.1147 |
| Molecular Weight | 537.128 g/mol |
| Sample ID | 3272 |
| Solvent | CDCl3 |