| SpectraBase Compound ID | 2KhjlO23ppm |
|---|---|
| InChI | InChI=1S/C17H25N7O6S/c1-24(23-22-11-3-2-6-19-7-11)10-31-9-13(16(28)20-8-15(26)27)21-14(25)5-4-12(18)17(29)30/h2-3,6-7,12-13H,4-5,8-10,18H2,1H3,(H,20,28)(H,21,25)(H,26,27)(H,29,30)/p+1/b23-22+ |
| InChIKey | FKFZCQOUMYKBLE-GHVJWSGMSA-O |
| Mol Weight | 456.5 g/mol |
| Molecular Formula | C17H26N7O6S |
| Exact Mass | 456.166528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7XRJHlGafT |
|---|---|
| Name | 3-(3- |
| Comments | TRIFLUOROACETATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H26N7O6S |
| InChI | InChI=1S/C17H25N7O6S/c1-24(23-22-11-3-2-6-19-7-11)10-31-9-13(16(28)20-8-15(26)27)21-14(25)5-4-12(18)17(29)30/h2-3,6-7,12-13H,4-5,8-10,18H2,1H3,(H,20,28)(H,21,25)(H,26,27)(H,29,30)/p+1/b23-22+ |
| InChIKey | FKFZCQOUMYKBLE-GHVJWSGMSA-O |
| Instrument Name | Jeol FX-90 |
| Literature Reference | J. Iley, R. Moreira, E. Rosa, J. Chem. Soc. Perkin I 3241 (1991). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |