| SpectraBase Compound ID | EfauneX8o6j |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-12(2)8-7-11-21-17(20)15-10-6-5-9-14(15)16(19)18-13(3)4/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,18,19) |
| InChIKey | XZXCCOBASWFBHE-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlcUBtSFnvA |
|---|---|
| Name | Phthalic acid, monoamide, N-isopropyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.183443666 u |
| Formula | C17H25NO3 |
| InChI | InChI=1S/C17H25NO3/c1-12(2)8-7-11-21-17(20)15-10-6-5-9-14(15)16(19)18-13(3)4/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,18,19) |
| InChIKey | XZXCCOBASWFBHE-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(NC(C)C)=O)C(OCCCC(C)C)=O |