| SpectraBase Compound ID | gsumBSK6i |
|---|---|
| InChI | InChI=1S/C19H21NO3/c1-3-4-14-23-19(22)16-12-10-15(11-13-16)18(21)20(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | QIDWXIJMYMNGFN-UHFFFAOYSA-N |
| Mol Weight | 311.38 g/mol |
| Molecular Formula | C19H21NO3 |
| Exact Mass | 311.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY9GdsgvQmo |
|---|---|
| Name | Terephthalic acid, monoamide, N-methyl-N-phenyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.152143537 u |
| Formula | C19H21NO3 |
| InChI | InChI=1S/C19H21NO3/c1-3-4-14-23-19(22)16-12-10-15(11-13-16)18(21)20(2)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3 |
| InChIKey | QIDWXIJMYMNGFN-UHFFFAOYSA-N |
| Molecular Weight | 311.381 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OCCCC)C(N(C)C1=CC=CC=C1)=O |