![ETHYL-DI-ENDO-3-PHENYLTHIOCARBAMOYLBICYCLO-[2.2.2]-OCTANE-2-CARBOXILATE](/api/spectrum/6YJdkb7wzBK/structure.png?h=300&w=458 "ETHYL-DI-ENDO-3-PHENYLTHIOCARBAMOYLBICYCLO-[2.2.2]-OCTANE-2-CARBOXILATE")
| SpectraBase Compound ID | CpdFmSMTx3o |
|---|---|
| InChI | InChI=1S/C18H22N2O2S/c1-2-22-17(21)15-12-8-10-13(11-9-12)16(15)20-18(23)19-14-6-4-3-5-7-14/h3-8,10,12-13,15-16H,2,9,11H2,1H3,(H2,19,20,23)/t12-,13+,15+,16-/m1/s1 |
| InChIKey | IYWALIBMCCDLHO-BFJAYTPKSA-N |
| Mol Weight | 330.45 g/mol |
| Molecular Formula | C18H22N2O2S |
| Exact Mass | 330.140199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YJdkb7wzBK |
|---|---|
| Name | ETHYL-DI-ENDO-3-PHENYLTHIOCARBAMOYLBICYCLO-[2.2.2]-OCTANE-2-CARBOXILATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H22N2O2S |
| InChI | InChI=1S/C18H22N2O2S/c1-2-22-17(21)15-12-8-10-13(11-9-12)16(15)20-18(23)19-14-6-4-3-5-7-14/h3-8,10,12-13,15-16H,2,9,11H2,1H3,(H2,19,20,23)/t12-,13+,15+,16-/m1/s1 |
| InChIKey | IYWALIBMCCDLHO-BFJAYTPKSA-N |
| Literature Reference Author | M.PALKO,P.SOHAR,F.FUELOUP |
| Literature Reference Citation | MOLECULES,16,7691(2011) |
| Literature Reference DOI | 10.3390/molecules16097691 |
| Molecular Weight | 330.445 g/mol |
| Sample ID | 191 |
| Solvent | CDCl3 |