| SpectraBase Compound ID | GEVejhw75LY |
|---|---|
| InChI | InChI=1S/C20H22N2O4/c1-11-13-9-22-7-6-20(15-4-2-3-5-16(15)21-19(20)25)17(22)8-12(13)14(10-26-11)18(23)24/h2-5,10-13,17H,6-9H2,1H3,(H,21,25)(H,23,24)/t11-,12-,13+,17-,20-/m0/s1 |
| InChIKey | BLXUPISDXRFTCK-KXJMRVCNSA-N |
| Mol Weight | 354.41 g/mol |
| Molecular Formula | C20H22N2O4 |
| Exact Mass | 354.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dTpFR5XSHn |
|---|---|
| Name | ISOMITRAPHYLINIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H22N2O4 |
| InChI | InChI=1S/C20H22N2O4/c1-11-13-9-22-7-6-20(15-4-2-3-5-16(15)21-19(20)25)17(22)8-12(13)14(10-26-11)18(23)24/h2-5,10-13,17H,6-9H2,1H3,(H,21,25)(H,23,24)/t11-,12-,13+,17-,20-/m0/s1 |
| InChIKey | BLXUPISDXRFTCK-KXJMRVCNSA-N |
| Literature Reference Author | C.A.CARBONEZI,L.HAMERSKI,O.A.F.JR,M.FURLAN,V.D.S.BOLZANI,M.C .M.YOUNG |
| Literature Reference Citation | QUIM.NOVA,27,878(2004) |
| Literature Reference DOI | 10.1590/s0100-40422004000600007 |
| Molecular Weight | 354.406 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12268 |