| SpectraBase Compound ID | I3XaKTFlxQ2 |
|---|---|
| InChI | InChI=1S/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7+,11-10+,16-8+ |
| InChIKey | PDXPLYCPNXZSAL-UDXRPNOESA-N |
| Mol Weight | 547.0 g/mol |
| Molecular Formula | C28H35ClN2O7 |
| Exact Mass | 546.213279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXTWGF151LV |
|---|---|
| Name | Maysine |
| CAS Registry Number | 52978-28-6 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H35ClN2O7 |
| InChI | InChI=1S/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7+,11-10+,16-8+ |
| InChIKey | PDXPLYCPNXZSAL-UDXRPNOESA-N |
| Instrument Name | Jeol FX-90 |
| Literature Reference | W.A. Wallace, A.T. Sneden, Org. Magn. Resonance 19, 31 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |