| SpectraBase Compound ID | E0Fcz0nR5w8 |
|---|---|
| InChI | InChI=1S/C13H14ClNO2/c1-2-3-6-17-13(16)12-8-9-7-10(14)4-5-11(9)15-12/h4-5,7-8,15H,2-3,6H2,1H3 |
| InChIKey | ULGAZQRBTPCFDK-UHFFFAOYSA-N |
| Mol Weight | 251.71 g/mol |
| Molecular Formula | C13H14ClNO2 |
| Exact Mass | 251.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7P5aSQNdNq |
|---|---|
| Name | N-Butyl 5-chloro-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.071306393 u |
| Formula | C13H14ClNO2 |
| InChI | InChI=1S/C13H14ClNO2/c1-2-3-6-17-13(16)12-8-9-7-10(14)4-5-11(9)15-12/h4-5,7-8,15H,2-3,6H2,1H3 |
| InChIKey | ULGAZQRBTPCFDK-UHFFFAOYSA-N |
| Molecular Weight | 251.713 g/mol |
| SMILES | C1=CC=2NC(=CC2C=C1Cl)C(OCCCC)=O |