| SpectraBase Compound ID | BBU3ZdfsZIH |
|---|---|
| InChI | InChI=1S/C12H12ClNO2/c1-3-16-12(15)11-7(2)9-6-8(13)4-5-10(9)14-11/h4-6,14H,3H2,1-2H3 |
| InChIKey | KERASJPARWIHBU-UHFFFAOYSA-N |
| Mol Weight | 237.69 g/mol |
| Molecular Formula | C12H12ClNO2 |
| Exact Mass | 237.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IAkCmQglQo4 |
|---|---|
| Name | 1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.055656328 u |
| Formula | C12H12ClNO2 |
| InChI | InChI=1S/C12H12ClNO2/c1-3-16-12(15)11-7(2)9-6-8(13)4-5-10(9)14-11/h4-6,14H,3H2,1-2H3 |
| InChIKey | KERASJPARWIHBU-UHFFFAOYSA-N |
| Molecular Weight | 237.686 g/mol |
| SMILES | C1=C(C=C2C(=C1)NC(=C2C)C(OCC)=O)Cl |