| SpectraBase Compound ID | 5Z25qnqWIJ3 |
|---|---|
| InChI | InChI=1S/C18H19BrN4O3S.C2HF3O2/c1-22-9-23(2)17(27-3)15(22)7-14(18(25)26)21-16(24)12-8-20-13-6-10(19)4-5-11(12)13;3-2(4,5)1(6)7/h4-6,8-9,14H,7H2,1-3H3,(H2-,20,21,24,25,26);(H,6,7) |
| InChIKey | HEUYGLNEOXIEMC-UHFFFAOYSA-N |
| Mol Weight | 565.36 g/mol |
| Molecular Formula | C20H20BrF3N4O5S |
| Exact Mass | 564.028988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8w6TWEjqeRp |
|---|---|
| Name | LEPTOCLINIDAMINE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H20BrF3N4O5S |
| InChI | InChI=1S/C18H19BrN4O3S.C2HF3O2/c1-22-9-23(2)17(27-3)15(22)7-14(18(25)26)21-16(24)12-8-20-13-6-10(19)4-5-11(12)13;3-2(4,5)1(6)7/h4-6,8-9,14H,7H2,1-3H3,(H2-,20,21,24,25,26);(H,6,7) |
| InChIKey | HEUYGLNEOXIEMC-UHFFFAOYSA-N |
| Literature Reference Author | A.R.CARROLL,V.M.AVERY |
| Literature Reference Citation | J.NAT.PROD.,72,696(2009) |
| Literature Reference DOI | 10.1021/np800831z |
| Molecular Weight | 565.362 g/mol |
| Sample ID | 32455 |
| Solvent | DMSO-D6 |