![10-Methyl-1,7-diphenyl-6-piperidino-9-thia-10-azatricyclo[5.2.2.0(2,6)]undecane-8,11-dione](/api/spectrum/KEfGHy2oKjP/structure.png?h=300&w=458 "10-Methyl-1,7-diphenyl-6-piperidino-9-thia-10-azatricyclo[5.2.2.0(2,6)]undecane-8,11-dione")
| SpectraBase Compound ID | 3ySZnuDzxUu |
|---|---|
| InChI | InChI=1S/C27H30N2O2S/c1-28-23(30)26(20-12-5-2-6-13-20)24(31)32-27(28,21-14-7-3-8-15-21)22-16-11-17-25(22,26)29-18-9-4-10-19-29/h2-3,5-8,12-15,22H,4,9-11,16-19H2,1H3/t22?,25-,26+,27-/m1/s1 |
| InChIKey | LGXGPZVPZXMNHF-LFVCYSFVSA-N |
| Mol Weight | 446.61 g/mol |
| Molecular Formula | C27H30N2O2S |
| Exact Mass | 446.202799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEfGHy2oKjP |
|---|---|
| Name | 10-METHYL-1,7-DIPHENYL-6-PIPERIDINO-9-THIA-10-AZATRICYCLO-[5.2.2.0(2,6)]-UNDECANE-8,11-DIONE |
| CAS Registry Number | 112423-26-4 |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30N2O2S |
| InChI | InChI=1S/C27H30N2O2S/c1-28-23(30)26(20-12-5-2-6-13-20)24(31)32-27(28,21-14-7-3-8-15-21)22-16-11-17-25(22,26)29-18-9-4-10-19-29/h2-3,5-8,12-15,22H,4,9-11,16-19H2,1H3/t22?,25-,26+,27-/m1/s1 |
| InChIKey | LGXGPZVPZXMNHF-LFVCYSFVSA-N |
| Literature Reference Author | H.GOTTHARDT,C.FLOSBACH |
| Literature Reference Citation | CHEM.BER.,121,951(1988) |
| Literature Reference DOI | 10.1002/cber.19881210521 |
| Molecular Weight | 446.607 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1451 |