| SpectraBase Compound ID | 74m1SHrREiz |
|---|---|
| InChI | InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2 |
| InChIKey | ZJIHUSWGELHYBJ-UHFFFAOYSA-N |
| Mol Weight | 182.61 g/mol |
| Molecular Formula | C9H7ClO2 |
| Exact Mass | 182.013457 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L1RqhJxriH4 |
|---|---|
| Name | o-Chlorobenzoic acid, vinyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.013457163 u |
| Formula | C9H7ClO2 |
| InChI | InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2 |
| InChIKey | ZJIHUSWGELHYBJ-UHFFFAOYSA-N |
| Molecular Weight | 182.606 g/mol |
| SMILES | C=1C(=C(C=CC1)Cl)C(OC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.721149 |