| SpectraBase Compound ID | 72aZGamDJid |
|---|---|
| InChI | InChI=1S/C16H14ClNO4/c1-10-2-4-12(7-13(10)17)18-16(19)20-8-11-3-5-14-15(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19) |
| InChIKey | YFHMVVDKWMADAS-UHFFFAOYSA-N |
| Mol Weight | 319.74 g/mol |
| Molecular Formula | C16H14ClNO4 |
| Exact Mass | 319.061136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvyeitFt3An |
|---|---|
| Name | 3-Chloro-4-methylcarbanilic acid, piperonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.061135631 u |
| Formula | C16H14ClNO4 |
| InChI | InChI=1S/C16H14ClNO4/c1-10-2-4-12(7-13(10)17)18-16(19)20-8-11-3-5-14-15(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,19) |
| InChIKey | YFHMVVDKWMADAS-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)Cl)C)C(OCC=1C=C2OCOC2=CC1)=O |