| SpectraBase Compound ID | G4HmhVgw7uX |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c10-6-9(12-7-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2 |
| InChIKey | NIFPZYUIASNWQJ-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CVFa2uZKI5M |
|---|---|
| Name | (2-Chloranyl-1-phenyl-ethyl) methanoate |
| 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/c10-6-9(12-7-11)8-4-2-1-3-5-8/h1-5,7,9H,6H2 |
| InChIKey | NIFPZYUIASNWQJ-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C(=O)OC(C=1C=CC=CC1)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837751 |