| SpectraBase Compound ID | 5YVfPGIT1dg |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| InChIKey | JAVRNIFMYIJXIE-UHFFFAOYSA-N |
| Mol Weight | 170.59 g/mol |
| Molecular Formula | C8H7ClO2 |
| Exact Mass | 170.013457 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7wvvtt6aLv8 |
|---|---|
| Name | Methyl-2-chlorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.013457163 u |
| Formula | C8H7ClO2 |
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| InChIKey | JAVRNIFMYIJXIE-UHFFFAOYSA-N |
| Molecular Weight | 170.595 g/mol |
| SMILES | C=1(Cl)C=CC=CC1C(=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.956504 |