| SpectraBase Compound ID | LsXcRtFF6LA |
|---|---|
| InChI | InChI=1S/C18H28N2O8.Ca/c1-23-17(24-2)9-19-15(21)11-27-13-7-5-6-8-14(13)28-12-16(22)20-10-18(25-3)26-4;/h5-8,17-18H,9-12H2,1-4H3,(H2,19,20,21,22);/q;+4/p-2 |
| InChIKey | CDXBQJXZRQABSA-UHFFFAOYSA-L |
| Mol Weight | 438.5 g/mol |
| Molecular Formula | C18H26CaN2O8 |
| Exact Mass | 438.131507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IP531TsfkPj |
|---|---|
| Name | COMPLEX-CA(2+) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H26CaN2O8 |
| InChI | InChI=1S/C18H28N2O8.Ca/c1-23-17(24-2)9-19-15(21)11-27-13-7-5-6-8-14(13)28-12-16(22)20-10-18(25-3)26-4;/h5-8,17-18H,9-12H2,1-4H3,(H2,19,20,21,22);/q;+4/p-2 |
| InChIKey | CDXBQJXZRQABSA-UHFFFAOYSA-L |
| Literature Reference Author | W.O.LIN,M.C.B.V.DESOUZA,H.G.ALT |
| Literature Reference Citation | QUIM.NOVA,11,393(1988) |
| Molecular Weight | 438.493 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWBT12618 |