| SpectraBase Compound ID | 4Mcmf28z0EU |
|---|---|
| InChI | InChI=1S/C19H17N3O2.C2HF3O2/c1-11(23)20-8-6-12-10-16(24)19-17-14(7-9-21-19)13-4-2-3-5-15(13)22-18(12)17;3-2(4,5)1(6)7/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,20,23);(H,6,7) |
| InChIKey | RHLJMHQIMMOHTA-UHFFFAOYSA-N |
| Mol Weight | 433.39 g/mol |
| Molecular Formula | C21H18F3N3O4 |
| Exact Mass | 433.124941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Y4ezpiSlO1 |
|---|---|
| Name | STYELSAMINE_B_TFA_SALT |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H18F3N3O4 |
| InChI | InChI=1S/C19H17N3O2.C2HF3O2/c1-11(23)20-8-6-12-10-16(24)19-17-14(7-9-21-19)13-4-2-3-5-15(13)22-18(12)17;3-2(4,5)1(6)7/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,20,23);(H,6,7) |
| InChIKey | RHLJMHQIMMOHTA-UHFFFAOYSA-N |
| Literature Reference Author | B.R.COPP,J.JOMPA,A.TAHIR,C.M.IRELAND |
| Literature Reference Citation | J.ORG.CHEM.,63,8024(1998) |
| Literature Reference DOI | 10.1021/jo980905j |
| Molecular Weight | 433.387 g/mol |
| Sample ID | 26805 |
| Solvent | DMSO-D6 |