| SpectraBase Compound ID | A4dQ1mETB0c |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-3-21-17(20)14-11-9-13(10-12-14)16(19)18(2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3 |
| InChIKey | JNAXTCZZLZMPED-UHFFFAOYSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C17H17NO3 |
| Exact Mass | 283.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4T7hmxPhH0V |
|---|---|
| Name | Terephthalic acid, monoamide, N-methyl-N-phenyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.120843408 u |
| Formula | C17H17NO3 |
| InChI | InChI=1S/C17H17NO3/c1-3-21-17(20)14-11-9-13(10-12-14)16(19)18(2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3 |
| InChIKey | JNAXTCZZLZMPED-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(=O)OCC)C(N(C)C1=CC=CC=C1)=O |