| SpectraBase Compound ID | FHXBe6wqHY8 |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | RAFRTSDUWORDLA-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ILZyTgOixLu |
|---|---|
| Name | 3-Chloropropionic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | RAFRTSDUWORDLA-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1=CC=CC(=C1)OC(CCCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.84617 |