![.alpha.-Pyrrolidone, N-benzyl-5-[3-acetoxypropyl]-](/api/spectrum/2fkPbG6lufy/structure.png?h=300&w=458 ".alpha.-Pyrrolidone, N-benzyl-5-[3-acetoxypropyl]-")
| SpectraBase Compound ID | KgeJpJLaAGM |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-13(18)20-11-5-8-15-9-10-16(19)17(15)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3 |
| InChIKey | PYQZIQCKPASLGN-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fkPbG6lufy |
|---|---|
| Name | .alpha.-Pyrrolidone, N-benzyl-5-[3-acetoxypropyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-13(18)20-11-5-8-15-9-10-16(19)17(15)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3 |
| InChIKey | PYQZIQCKPASLGN-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C1(N(C(CC1)CCCOC(=O)C)CC1=CC=CC=C1)=O |