| SpectraBase Compound ID | 79b2KeMuKXs |
|---|---|
| InChI | InChI=1S/C13H23NO4/c1-3-4-5-10-18-12(15)11-6-8-14(9-7-11)13(16)17-2/h11H,3-10H2,1-2H3 |
| InChIKey | KOMXRXARYCMQCX-UHFFFAOYSA-N |
| Mol Weight | 257.33 g/mol |
| Molecular Formula | C13H23NO4 |
| Exact Mass | 257.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkPpezstsZR |
|---|---|
| Name | Isonipecotic acid, N-methoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.162708221 u |
| Formula | C13H23NO4 |
| InChI | InChI=1S/C13H23NO4/c1-3-4-5-10-18-12(15)11-6-8-14(9-7-11)13(16)17-2/h11H,3-10H2,1-2H3 |
| InChIKey | KOMXRXARYCMQCX-UHFFFAOYSA-N |
| Molecular Weight | 257.330 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCC)=O)C(OC)=O |