| SpectraBase Compound ID | GcbfpBOPZzT |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-5-8-10-15(7-3)13-22-17(20)18-14(4)12-16(19)21-11-9-6-2/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | QTFIGKRLCNEQPI-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3nIcjkuaPX |
|---|---|
| Name | dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-5-8-10-15(7-3)13-22-17(20)18-14(4)12-16(19)21-11-9-6-2/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | QTFIGKRLCNEQPI-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | C(CC(NC(OCC(CCCC)CC)=O)C)(OCCCC)=O |