| SpectraBase Compound ID | 2czPGnkC5dA |
|---|---|
| InChI | InChI=1S/C17H14ClNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3 |
| InChIKey | FSLOLRKVZPTMHC-UHFFFAOYSA-N |
| Mol Weight | 299.76 g/mol |
| Molecular Formula | C17H14ClNO2 |
| Exact Mass | 299.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fMyMt9nFzc |
|---|---|
| Name | Ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.071306393 u |
| Formula | C17H14ClNO2 |
| InChI | InChI=1S/C17H14ClNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3 |
| InChIKey | FSLOLRKVZPTMHC-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C1=C(C2=CC(Cl)=CC=C2N1)C1=CC=CC=C1 |