| SpectraBase Compound ID | DVF0TB7UY1a |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-4-7-14-21(15-8-5-2)19(22)17-12-10-11-13-18(17)20(23)24-16-9-6-3/h10-13H,4-9,14-16H2,1-3H3 |
| InChIKey | SQZKBMCWTBTHJH-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 | 6ijYpHxyu6B |
|---|---|
| Name | Phthalic acid, monoamide, N,N-dibutyl-, butyl 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/c1-4-7-14-21(15-8-5-2)19(22)17-12-10-11-13-18(17)20(23)24-16-9-6-3/h10-13H,4-9,14-16H2,1-3H3 |
| InChIKey | SQZKBMCWTBTHJH-UHFFFAOYSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | C1(=C(C=CC=C1)C(=O)OCCCC)C(N(CCCC)CCCC)=O |