| SpectraBase Compound ID | Bb40GlX14HW |
|---|---|
| InChI | InChI=1S/C8H5ClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2 |
| InChIKey | UBRQBEBBOSKYLQ-UHFFFAOYSA-N |
| Mol Weight | 168.58 g/mol |
| Molecular Formula | C8H5ClO2 |
| Exact Mass | 167.997807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 40l1cFFGHDj |
|---|---|
| Name | 5-Chloro-2-benzofuran-1(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.997807099 u |
| Formula | C8H5ClO2 |
| InChI | InChI=1S/C8H5ClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2 |
| InChIKey | UBRQBEBBOSKYLQ-UHFFFAOYSA-N |
| Molecular Weight | 168.579 g/mol |
| SMILES | C1(Cl)=CC2=C(C=C1)C(=O)OC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953998 |