| SpectraBase Compound ID | 61m3kPk82o6 |
|---|---|
| InChI | InChI=1S/C19H27NO4/c1-3-4-7-14-24-19(22)15-10-12-20(13-11-15)18(21)16-8-5-6-9-17(16)23-2/h5-6,8-9,15H,3-4,7,10-14H2,1-2H3 |
| InChIKey | MHECOSDQLJKSFI-UHFFFAOYSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C19H27NO4 |
| Exact Mass | 333.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sMrkaNXCSi |
|---|---|
| Name | Isonipecotic acid, N-(2-methoxybenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.194008349 u |
| Formula | C19H27NO4 |
| InChI | InChI=1S/C19H27NO4/c1-3-4-7-14-24-19(22)15-10-12-20(13-11-15)18(21)16-8-5-6-9-17(16)23-2/h5-6,8-9,15H,3-4,7,10-14H2,1-2H3 |
| InChIKey | MHECOSDQLJKSFI-UHFFFAOYSA-N |
| Molecular Weight | 333.428 g/mol |
| SMILES | COC1=C(C=CC=C1)C(N1CCC(C(OCCCCC)=O)CC1)=O |