| SpectraBase Compound ID | 5a3oJnLvqQw |
|---|---|
| InChI | InChI=1S/C8H9NO2S5/c9-2-1-4-3-5(10)6(11)8-7(4)12-14-16-15-13-8/h3,10-11H,1-2,9H2 |
| InChIKey | XNDRIVPXMJXZDM-UHFFFAOYSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C8H9NO2S5 |
| Exact Mass | 310.923684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nEvgDnbszo |
|---|---|
| Name | 6,7-BENZOPENTATHIEPINEDIOL, 9-(2-AMINOETHYL)-TRIFLUOROACETATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H9NO2S5 |
| InChI | InChI=1S/C8H9NO2S5/c9-2-1-4-3-5(10)6(11)8-7(4)12-14-16-15-13-8/h3,10-11H,1-2,9H2 |
| InChIKey | XNDRIVPXMJXZDM-UHFFFAOYSA-N |
| Instrument Name | BRUKER WP-200SY |
| Solvent | DMSO |