| SpectraBase Compound ID | HjVF2DSfdSw |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3 |
| InChIKey | XLMVMSDHBQJNTL-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 | KBNaawCSuxs |
|---|---|
| Name | (3-Chlorophenyl)methyl acetate |
| 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/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3 |
| InChIKey | XLMVMSDHBQJNTL-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C(=O)(OCC=1C=C(Cl)C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883523 |