| SpectraBase Compound ID | 5rAbs4GCUNP |
|---|---|
| InChI | InChI=1S/C14H25NO4/c1-11(2)5-4-10-19-13(16)12-6-8-15(9-7-12)14(17)18-3/h11-12H,4-10H2,1-3H3 |
| InChIKey | IFGBKWADVDGIPS-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C14H25NO4 |
| Exact Mass | 271.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hHf7mInX4E |
|---|---|
| Name | Isonipecotic acid, N-methoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.178358285 u |
| Formula | C14H25NO4 |
| InChI | InChI=1S/C14H25NO4/c1-11(2)5-4-10-19-13(16)12-6-8-15(9-7-12)14(17)18-3/h11-12H,4-10H2,1-3H3 |
| InChIKey | IFGBKWADVDGIPS-UHFFFAOYSA-N |
| Molecular Weight | 271.357 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCC(C)C)=O)C(OC)=O |