| SpectraBase Compound ID | GHr4S4WLJ4U |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-5-7-13-21(14-8-6-2)19(22)17-11-9-10-12-18(17)20(23)24-15-16(3)4/h9-12,16H,5-8,13-15H2,1-4H3 |
| InChIKey | XZBFVDKSQXCWAS-UHFFFAOYSA-N |
| Mol Weight | 333.47 g/mol |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uNdaAhFoKv |
|---|---|
| Name | Phthalic acid, monoamide, N,N-dibutyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.230393859 u |
| Formula | C20H31NO3 |
| InChI | InChI=1S/C20H31NO3/c1-5-7-13-21(14-8-6-2)19(22)17-11-9-10-12-18(17)20(23)24-15-16(3)4/h9-12,16H,5-8,13-15H2,1-4H3 |
| InChIKey | XZBFVDKSQXCWAS-UHFFFAOYSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCC(C)C)(N(CCCC)CCCC)=O |