| SpectraBase Compound ID | 6n5zPn7TLKJ |
|---|---|
| InChI | InChI=1S/C22H26N2O4/c1-14(25)23-18-11-7-16(8-12-18)21(28)24-19(13-20(26)27)15-5-9-17(10-6-15)22(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,25)(H,24,28)(H,26,27) |
| InChIKey | AJRDTVPAPAMIKF-UHFFFAOYSA-N |
| Mol Weight | 382.46 g/mol |
| Molecular Formula | C22H26N2O4 |
| Exact Mass | 382.189257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fdjvo3DLCOX |
|---|---|
| Name | Propionic acid, 3-(4-acetylaminobenzoylamino)-3-(4-tert-butylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.189257321 u |
| Formula | C22H26N2O4 |
| InChI | InChI=1S/C22H26N2O4/c1-14(25)23-18-11-7-16(8-12-18)21(28)24-19(13-20(26)27)15-5-9-17(10-6-15)22(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,25)(H,24,28)(H,26,27) |
| InChIKey | AJRDTVPAPAMIKF-UHFFFAOYSA-N |
| Molecular Weight | 382.460 g/mol |
| SMILES | C1=CC(=CC=C1C(CC(O)=O)NC(=O)C=1C=CC(=CC1)NC(C)=O)C(C)(C)C |