| SpectraBase Compound ID | JuYvz6DOhNB |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4,10H,5H2 |
| InChIKey | CJROZDJBKZQNES-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 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 | 8Ds8IuvZLF5 |
|---|---|
| Name | 1,3-Benzenediol, o-chloroacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4,10H,5H2 |
| InChIKey | CJROZDJBKZQNES-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(CCl)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917715 |