| SpectraBase Compound ID | Cxz5fR7AVJm |
|---|---|
| InChI | InChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) |
| InChIKey | ZEIRLSDFVXNFGG-UHFFFAOYSA-N |
| Mol Weight | 209.63 g/mol |
| Molecular Formula | C10H8ClNO2 |
| Exact Mass | 209.024356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnvX1O6SeuJ |
|---|---|
| Name | 2-(5-Chloro-1H-indol-3-yl)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.024356200 u |
| Formula | C10H8ClNO2 |
| InChI | InChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) |
| InChIKey | ZEIRLSDFVXNFGG-UHFFFAOYSA-N |
| Molecular Weight | 209.632 g/mol |
| SMILES | C1(Cl)=CC2=C(NC=C2CC(=O)O)C=C1 |