![2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-2-methyl-phenyl)-amide](/api/spectrum/3sgQaqiygOo/structure.png?h=300&w=458 "2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-2-methyl-phenyl)-amide")
| SpectraBase Compound ID | AUJ5E6sKbzn |
|---|---|
| InChI | InChI=1S/C16H14ClNO3/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19) |
| InChIKey | OKXLPJUSQTXVTJ-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 | 3sgQaqiygOo |
|---|---|
| Name | 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-2-methyl-phenyl)-amide |
| 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/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19) |
| InChIKey | OKXLPJUSQTXVTJ-UHFFFAOYSA-N |
| SMILES | C=12C(OCC(O2)C(NC=2C(=C(C=CC2)Cl)C)=O)=CC=CC1 |