| SpectraBase Compound ID | 6ci8qm8l06w |
|---|---|
| InChI | InChI=1S/C16H29NO3/c1-4-5-6-11-20-16(19)14-7-9-17(10-8-14)15(18)12-13(2)3/h13-14H,4-12H2,1-3H3 |
| InChIKey | JITFTNMMCHAEJB-UHFFFAOYSA-N |
| Mol Weight | 283.41 g/mol |
| Molecular Formula | C16H29NO3 |
| Exact Mass | 283.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0zuJRp4jnC |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbutyryl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.214743795 u |
| Formula | C16H29NO3 |
| InChI | InChI=1S/C16H29NO3/c1-4-5-6-11-20-16(19)14-7-9-17(10-8-14)15(18)12-13(2)3/h13-14H,4-12H2,1-3H3 |
| InChIKey | JITFTNMMCHAEJB-UHFFFAOYSA-N |
| SMILES | CC(CC(N1CCC(C(OCCCCC)=O)CC1)=O)C |