![.alpha.-Pyrrolidone, 5-[5,5-dimethoxy-1-hexyl]-](/api/spectrum/AKgNALFzj4O/structure.png?h=300&w=458 ".alpha.-Pyrrolidone, 5-[5,5-dimethoxy-1-hexyl]-")
| SpectraBase Compound ID | HTXL0uIr48U |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-12(15-2,16-3)9-5-4-6-10-7-8-11(14)13-10/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | PKZRTWAJHFKFPY-UHFFFAOYSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKgNALFzj4O |
|---|---|
| Name | .alpha.-Pyrrolidone, 5-[5,5-dimethoxy-1-hexyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.167793602 u |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-12(15-2,16-3)9-5-4-6-10-7-8-11(14)13-10/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | PKZRTWAJHFKFPY-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | C1(NC(CC1)CCCCC(OC)(C)OC)=O |