![1-[(2,5-dimethoxybenzene)sulfonyl]-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide](/api/spectrum/2aKxCCVM1Pz/structure.png?h=300&w=458 "1-[(2,5-dimethoxybenzene)sulfonyl]-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide")
| SpectraBase Compound ID | EvU2TxcsxIF |
|---|---|
| InChI | InChI=1S/C21H26N2O6S/c1-27-17-10-11-19(28-2)20(15-17)30(25,26)23-13-6-9-18(23)21(24)22-12-14-29-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,18H,6,9,12-14H2,1-2H3,(H,22,24) |
| InChIKey | KDYAWLJYGCMHIO-UHFFFAOYSA-N |
| Mol Weight | 434.51 g/mol |
| Molecular Formula | C21H26N2O6S |
| Exact Mass | 434.151158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aKxCCVM1Pz |
|---|---|
| Name | 1-[(2,5-Dimethoxybenzene)sulfonyl]-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.151157733 u |
| Formula | C21H26N2O6S |
| InChI | InChI=1S/C21H26N2O6S/c1-27-17-10-11-19(28-2)20(15-17)30(25,26)23-13-6-9-18(23)21(24)22-12-14-29-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,18H,6,9,12-14H2,1-2H3,(H,22,24) |
| InChIKey | KDYAWLJYGCMHIO-UHFFFAOYSA-N |
| Molecular Weight | 434.507 g/mol |
| SMILES | C1=CC=CC=C1OCCNC(=O)C1CCCN1S(=O)(C=1C=C(C=CC1OC)OC)=O |