| SpectraBase Compound ID | HweD2BE0z |
|---|---|
| InChI | InChI=1S/C12H14ClNO2/c1-8(2)6-12(15)14-10-7-9(13)4-5-11(10)16-3/h4-7H,1-3H3,(H,14,15) |
| InChIKey | ZEPLCKNICSMDEY-UHFFFAOYSA-N |
| Mol Weight | 239.7 g/mol |
| Molecular Formula | C12H14ClNO2 |
| Exact Mass | 239.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HAeWJQvxcn |
|---|---|
| Name | but-2-Enoic acid, amide, 3-methyl-N-(5-chloro-2-methoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.071306393 u |
| Formula | C12H14ClNO2 |
| InChI | InChI=1S/C12H14ClNO2/c1-8(2)6-12(15)14-10-7-9(13)4-5-11(10)16-3/h4-7H,1-3H3,(H,14,15) |
| InChIKey | ZEPLCKNICSMDEY-UHFFFAOYSA-N |
| Molecular Weight | 239.702 g/mol |
| SMILES | C(=C(C)C)C(=O)NC=1C(OC)=CC=C(C1)Cl |