| SpectraBase Compound ID | EgnNLxrJxxy |
|---|---|
| InChI | InChI=1S/C19H31NO4/c1-3-5-7-13-22-15-18(16-23-14-8-6-4-2)24-19(21)17-9-11-20-12-10-17/h9-12,18H,3-8,13-16H2,1-2H3 |
| InChIKey | IMMDBJDOXUDLCZ-UHFFFAOYSA-N |
| Mol Weight | 337.46 g/mol |
| Molecular Formula | C19H31NO4 |
| Exact Mass | 337.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VBPXGQ0XjN |
|---|---|
| Name | 1,3-bis(Pentyloxy)propan-2-yl pyridine-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.225308478 u |
| Formula | C19H31NO4 |
| InChI | InChI=1S/C19H31NO4/c1-3-5-7-13-22-15-18(16-23-14-8-6-4-2)24-19(21)17-9-11-20-12-10-17/h9-12,18H,3-8,13-16H2,1-2H3 |
| InChIKey | IMMDBJDOXUDLCZ-UHFFFAOYSA-N |
| Molecular Weight | 337.460 g/mol |
| SMILES | C(COCCCCC)(COCCCCC)OC(=O)C=1C=CN=CC1 |