![2-Pyrrolidinecarboxamide, 1-[(2,5-dimethoxyphenyl)sulfonyl]-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-](/api/spectrum/2oe3q0HjIDQ/structure.png?h=300&w=458 "2-Pyrrolidinecarboxamide, 1-[(2,5-dimethoxyphenyl)sulfonyl]-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-")
| SpectraBase Compound ID | 5TwKz49ZgSg |
|---|---|
| InChI | InChI=1S/C23H32N2O5S/c1-29-18-5-6-20(30-2)21(11-18)31(27,28)25-7-3-4-19(25)22(26)24-23-12-15-8-16(13-23)10-17(9-15)14-23/h5-6,11,15-17,19H,3-4,7-10,12-14H2,1-2H3,(H,24,26)/t15-,16+,17-,19?,23- |
| InChIKey | JQIUBGNAAVPSKV-OWCNVZJPSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C23H32N2O5S |
| Exact Mass | 448.203193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oe3q0HjIDQ |
|---|---|
| Name | 2-Pyrrolidinecarboxamide, 1-[(2,5-dimethoxyphenyl)sulfonyl]-N-tricyclo[3.3.1.1(3,7)]dec-1-yl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.203193307 u |
| Formula | C23H32N2O5S |
| InChI | InChI=1S/C23H32N2O5S/c1-29-18-5-6-20(30-2)21(11-18)31(27,28)25-7-3-4-19(25)22(26)24-23-12-15-8-16(13-23)10-17(9-15)14-23/h5-6,11,15-17,19H,3-4,7-10,12-14H2,1-2H3,(H,24,26)/t15-,16+,17-,19?,23- |
| InChIKey | JQIUBGNAAVPSKV-OWCNVZJPSA-N |
| Molecular Weight | 448.578 g/mol |
| SMILES | C1[C@]2(C[C@@]3(C[C@](C2)(CC1(NC(=O)C1CCCN1S(=O)(C=1C=C(OC)C=CC1OC)=O)C3)[H])[H])[H] |