| SpectraBase Compound ID | LKl8qR1LoAA |
|---|---|
| InChI | InChI=1S/C16H14ClNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19) |
| InChIKey | PYVFDIOKDDCZQI-UHFFFAOYSA-N |
| Mol Weight | 303.75 g/mol |
| Molecular Formula | C16H14ClNO3 |
| Exact Mass | 303.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GCOgjjSjS0 |
|---|---|
| Name | Isophthalic acid, monoamide, N-(2-chlorophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.066221012 u |
| Formula | C16H14ClNO3 |
| InChI | InChI=1S/C16H14ClNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19) |
| InChIKey | PYVFDIOKDDCZQI-UHFFFAOYSA-N |
| Molecular Weight | 303.745 g/mol |
| SMILES | C1(=CC(=CC=C1)C(NC1=C(C=CC=C1)Cl)=O)C(OCC)=O |