| SpectraBase Compound ID | rTsfi0zgK0 |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-3-4-12-23-18(21)14-8-10-19(11-9-14)17(20)15-6-5-7-16(13-15)22-2/h5-7,13-14H,3-4,8-12H2,1-2H3 |
| InChIKey | UTALXVBGHLMXKG-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Q5buHCYq4b |
|---|---|
| Name | Isonipecotic acid, N-(3-methoxybenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-3-4-12-23-18(21)14-8-10-19(11-9-14)17(20)15-6-5-7-16(13-15)22-2/h5-7,13-14H,3-4,8-12H2,1-2H3 |
| InChIKey | UTALXVBGHLMXKG-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | COC1=CC=CC(=C1)C(N1CCC(C(OCCCC)=O)CC1)=O |