| SpectraBase Compound ID | 3i2pcPzw7ul |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c9-5-8(11)12-7-3-1-6(10)2-4-7/h1-4,10H,5H2 |
| InChIKey | MFITYLBRZKZKBS-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8UmcxvkFigF |
|---|---|
| Name | (4-Hydroxyphenyl) 2-chloranylethanoate |
| 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)12-7-3-1-6(10)2-4-7/h1-4,10H,5H2 |
| InChIKey | MFITYLBRZKZKBS-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C(OC=1C=CC(=CC1)O)(=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975288 |