![(2S,3R)-3-ENDO-[1-(1-METHOXYCARBONYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-BICYCLO-[2.2.1]-HEPTANE-2-ENDO-CARBOXYLIC-ACID](/api/spectrum/I7PRfNbv9cd/structure.png?h=300&w=458 "(2S,3R)-3-ENDO-[1-(1-METHOXYCARBONYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-BICYCLO-[2.2.1]-HEPTANE-2-ENDO-CARBOXYLIC-ACID")
| SpectraBase Compound ID | LIlkg5k3dnx |
|---|---|
| InChI | InChI=1S/C22H28N2O6/c1-12(22(29)30-2)23-19(25)16(10-13-6-4-3-5-7-13)24-20(26)17-14-8-9-15(11-14)18(17)21(27)28/h3-7,12,14-18H,8-11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/t12-,14+,15-,16-,17+,18-/m0/s1 |
| InChIKey | AHMFWGDVPLRYED-UIAIQNDTSA-N |
| Mol Weight | 416.47 g/mol |
| Molecular Formula | C22H28N2O6 |
| Exact Mass | 416.194737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7PRfNbv9cd |
|---|---|
| Name | (2S,3R)-3-ENDO-[1-(1-METHOXYCARBONYL-ETHYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-BICYCLO-[2.2.1]-HEPTANE-2-ENDO-CARBOXYLIC-ACID |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N2O6 |
| InChI | InChI=1S/C22H28N2O6/c1-12(22(29)30-2)23-19(25)16(10-13-6-4-3-5-7-13)24-20(26)17-14-8-9-15(11-14)18(17)21(27)28/h3-7,12,14-18H,8-11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/t12-,14+,15-,16-,17+,18-/m0/s1 |
| InChIKey | AHMFWGDVPLRYED-UIAIQNDTSA-N |
| Literature Reference Author | C.P.R.HACKENBERGER,I.SCHIFFERS,J.RUNSINK,C.BOLM |
| Literature Reference Citation | J.ORG.CHEM.,69,739(2004) |
| Literature Reference DOI | 10.1021/jo030295+ |
| Molecular Weight | 416.474 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN21534 |