| SpectraBase Compound ID | 9J1uqv0w9Hz |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-3-5-10-17-15(18)13-8-7-9-14(12-13)16(19)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18) |
| InChIKey | CDXYABZLCLUGNY-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qS7WarzpL0 |
|---|---|
| Name | Isophthalic acid, monoamide, N-butyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-3-5-10-17-15(18)13-8-7-9-14(12-13)16(19)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18) |
| InChIKey | CDXYABZLCLUGNY-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1)C(NCCCC)=O)C(OCCCC)=O |