| SpectraBase Compound ID | AC56XuoKJcO |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-5-9-17-15(18)13-7-6-8-14(10-13)16(19)20-11-12(2)3/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,17,18) |
| InChIKey | CCNANCYWNHNYMX-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 | EaY2o3TQwsF |
|---|---|
| Name | Isophthalic acid, monoamide, N-butyl-, isobutyl 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/c1-4-5-9-17-15(18)13-7-6-8-14(10-13)16(19)20-11-12(2)3/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,17,18) |
| InChIKey | CCNANCYWNHNYMX-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1)C(OCC(C)C)=O)C(NCCCC)=O |