![Agleptin;(E)-N-[3-(methylthio)-propenoyl]-2-(phenylacetylamino)-pyrrolidine](/api/spectrum/1fcd0dO7ZkB/structure.png?h=300&w=458 "Agleptin;(E)-N-[3-(methylthio)-propenoyl]-2-(phenylacetylamino)-pyrrolidine")
| SpectraBase Compound ID | 1nMRfQDNZQb |
|---|---|
| InChI | InChI=1S/C16H20N2O2S/c1-21-11-9-16(20)18-10-5-8-14(18)17-15(19)12-13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,17,19)/b11-9+ |
| InChIKey | UGYHSFVZFOEWDO-PKNBQFBNSA-N |
| Mol Weight | 304.41 g/mol |
| Molecular Formula | C16H20N2O2S |
| Exact Mass | 304.124549 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1fcd0dO7ZkB |
|---|---|
| Name | Agleptin;(E)-N-[3-(methylthio)-propenoyl]-2-(phenylacetylamino)-pyrrolidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.124549064 u |
| Formula | C16H20N2O2S |
| InChI | InChI=1S/C16H20N2O2S/c1-21-11-9-16(20)18-10-5-8-14(18)17-15(19)12-13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,17,19)/b11-9+ |
| InChIKey | UGYHSFVZFOEWDO-PKNBQFBNSA-N |
| Molecular Weight | 304.408 g/mol |
| SMILES | C(=O)(\C=C\SC)N1CCCC1NC(=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979073 |