| SpectraBase Compound ID | 4lY5aPI3mZN |
|---|---|
| InChI | InChI=1S/C9H7ClO4/c1-13-9(12)14-7-4-2-6(3-5-7)8(10)11/h2-5H,1H3 |
| InChIKey | LNOGRKDHGJQANU-UHFFFAOYSA-N |
| Mol Weight | 214.6 g/mol |
| Molecular Formula | C9H7ClO4 |
| Exact Mass | 214.003286 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6SIHKgsZ0KC |
|---|---|
| Name | (4-Carbonochloridoylphenyl) methyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.003286401 u |
| Formula | C9H7ClO4 |
| InChI | InChI=1S/C9H7ClO4/c1-13-9(12)14-7-4-2-6(3-5-7)8(10)11/h2-5H,1H3 |
| InChIKey | LNOGRKDHGJQANU-UHFFFAOYSA-N |
| Molecular Weight | 214.604 g/mol |
| SMILES | C(OC1=CC=C(C(=O)Cl)C=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960724 |