| SpectraBase Compound ID | Fhtz2QMhqS9 |
|---|---|
| InChI | InChI=1S/C12H10ClNO3/c1-2-17-12(16)11-9(6-15)8-5-7(13)3-4-10(8)14-11/h3-6,14H,2H2,1H3 |
| InChIKey | JSJQTSYYPLBOFH-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C12H10ClNO3 |
| Exact Mass | 251.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KoKciNreuKQ |
|---|---|
| Name | Ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.034920883 u |
| Formula | C12H10ClNO3 |
| InChI | InChI=1S/C12H10ClNO3/c1-2-17-12(16)11-9(6-15)8-5-7(13)3-4-10(8)14-11/h3-6,14H,2H2,1H3 |
| InChIKey | JSJQTSYYPLBOFH-UHFFFAOYSA-N |
| Molecular Weight | 251.669 g/mol |
| SMILES | C1=C(C=C2C(=C1)NC(=C2C=O)C(OCC)=O)Cl |