| SpectraBase Compound ID | 17sbZBwKBFh |
|---|---|
| InChI | InChI=1S/C13H16Br2N6O5S/c14-7-4-9(19-10(7)15)12(23)18-5-6(22)3-8-11(21-13(16)20-8)17-1-2-27(24,25)26/h4,8,19H,1-3,5H2,(H,18,23)(H,24,25,26)(H3,16,17,20,21) |
| InChIKey | RQKAQUMRPRYWJT-UHFFFAOYSA-N |
| Mol Weight | 528.18 g/mol |
| Molecular Formula | C13H16Br2N6O5S |
| Exact Mass | 525.926965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdnEpZAMKgR |
|---|---|
| Name | TAUROACIDIN-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H16Br2N6O5S |
| InChI | InChI=1S/C13H16Br2N6O5S/c14-7-4-9(19-10(7)15)12(23)18-5-6(22)3-8-11(21-13(16)20-8)17-1-2-27(24,25)26/h4,8,19H,1-3,5H2,(H,18,23)(H,24,25,26)(H3,16,17,20,21) |
| InChIKey | RQKAQUMRPRYWJT-UHFFFAOYSA-N |
| Literature Reference Author | T.KUSAMA,N.TANAKA,A.TAKAHASHI-NAKAGUCHI,T.GONOI,J.FROMONT,J. KOBAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,499(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00077 |
| Molecular Weight | 528.175 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT13903 |