| SpectraBase Compound ID | AJAzSPXCXaC |
|---|---|
| InChI | InChI=1S/C10H8ClNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h1,3-5,7H,6H2,(H,12,13) |
| InChIKey | ZKZLBLNPQRHCKR-UHFFFAOYSA-N |
| Mol Weight | 209.63 g/mol |
| Molecular Formula | C10H8ClNO2 |
| Exact Mass | 209.024356 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LGeSEx6zfRP |
|---|---|
| Name | m-Chlorocarbanilic acid. 2-propynyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.024356200 u |
| Formula | C10H8ClNO2 |
| InChI | InChI=1S/C10H8ClNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h1,3-5,7H,6H2,(H,12,13) |
| InChIKey | ZKZLBLNPQRHCKR-UHFFFAOYSA-N |
| Molecular Weight | 209.632 g/mol |
| SMILES | N(C1=CC=CC(=C1)Cl)C(OCC#C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.855966 |