| SpectraBase Compound ID | EzZiqkAIAvX |
|---|---|
| InChI | InChI=1S/C13H23NO3/c1-4-17-13(16)11-5-7-14(8-6-11)12(15)9-10(2)3/h10-11H,4-9H2,1-3H3 |
| InChIKey | LHMXIRVZMGWCLY-UHFFFAOYSA-N |
| Mol Weight | 241.33 g/mol |
| Molecular Formula | C13H23NO3 |
| Exact Mass | 241.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3p1smf8PQb |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbutyryl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.167793602 u |
| Formula | C13H23NO3 |
| InChI | InChI=1S/C13H23NO3/c1-4-17-13(16)11-5-7-14(8-6-11)12(15)9-10(2)3/h10-11H,4-9H2,1-3H3 |
| InChIKey | LHMXIRVZMGWCLY-UHFFFAOYSA-N |
| Molecular Weight | 241.331 g/mol |
| SMILES | CC(C)CC(N1CCC(C(OCC)=O)CC1)=O |