| SpectraBase Compound ID | 2vUMEK6wSP9 |
|---|---|
| InChI | InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7- |
| InChIKey | UXWOXTQWVMFRSE-PFYTZXQZSA-N |
| Mol Weight | 477.53 g/mol |
| Molecular Formula | C22H27N3O7S |
| Exact Mass | 477.156971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4QfeXdxDlz |
|---|---|
| Name | |
| CAS Registry Number | 53216-90-3 |
| Comments | REASSIGNET BY R.R. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H27N3O7S |
| InChI | InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7- |
| InChIKey | UXWOXTQWVMFRSE-PFYTZXQZSA-N |
| Instrument Name | Jeol PS-100 |
| Literature Reference | B.W. Bycroft, T.J. King, J. Chem. Soc. Perkin I 1996 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |