| SpectraBase Compound ID | F0z3d88TX5A |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-2-12-20-16(19)14-8-10-17(11-9-14)15(18)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 |
| InChIKey | JUEQUMTYGYSLEP-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lQrqhrdWJE |
|---|---|
| Name | Isonipecotic acid, N-benzoyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-2-12-20-16(19)14-8-10-17(11-9-14)15(18)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 |
| InChIKey | JUEQUMTYGYSLEP-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | CCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O |