| SpectraBase Compound ID | LPi8EuLxTjA |
|---|---|
| InChI | InChI=1S/C10H7ClO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2 |
| InChIKey | RTKZPVOAMHWVCN-UHFFFAOYSA-N |
| Mol Weight | 194.62 g/mol |
| Molecular Formula | C10H7ClO2 |
| Exact Mass | 194.013457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EsALyy7AynC |
|---|---|
| Name | 2H-1-Benzopyran-3-carbonyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.013457163 u |
| Formula | C10H7ClO2 |
| InChI | InChI=1S/C10H7ClO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2 |
| InChIKey | RTKZPVOAMHWVCN-UHFFFAOYSA-N |
| Molecular Weight | 194.617 g/mol |
| SMILES | C1(=CC2=CC=CC=C2OC1)C(=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97636 |