| SpectraBase Compound ID | BLCPULT6i1p |
|---|---|
| InChI | InChI=1S/C17H18N2O7S/c1-10-2-4-11(5-3-10)27(24,25)9-7-12-14(21)15(22)16(26-12)19-8-6-13(20)18-17(19)23/h2-9,12,14-16,21-22H,1H3,(H,18,20,23)/b9-7+/t12-,14-,15-,16-/m0/s1 |
| InChIKey | AIYYBMFCPZLUSO-AXCIXLDCSA-N |
| Mol Weight | 394.4 g/mol |
| Molecular Formula | C17H18N2O7S |
| Exact Mass | 394.083472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Ya8hUncow |
|---|---|
| Name | AIYYBMFCPZLUSO-AXCIXLDCSA-N |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H18N2O7S |
| InChI | InChI=1S/C17H18N2O7S/c1-10-2-4-11(5-3-10)27(24,25)9-7-12-14(21)15(22)16(26-12)19-8-6-13(20)18-17(19)23/h2-9,12,14-16,21-22H,1H3,(H,18,20,23)/b9-7+/t12-,14-,15-,16-/m0/s1 |
| InChIKey | AIYYBMFCPZLUSO-AXCIXLDCSA-N |
| Literature Reference Author | S.F.WNUK,M.J.ROBINS |
| Literature Reference Citation | CAN.J.CHEM.,71,192(1993) |
| Literature Reference DOI | 10.1139/v93-028 |
| Molecular Weight | 394.399 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP5785 |