| SpectraBase Compound ID | EYkP6Pvcdk9 |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-8(12)13-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6+ |
| InChIKey | ATEFNNDIROCRLI-VOTSOKGWSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DLStZTPzX19 |
|---|---|
| Name | (E)-2-Chlorostyryl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-8(12)13-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6+ |
| InChIKey | ATEFNNDIROCRLI-VOTSOKGWSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C1(=C(C=CC=C1)Cl)\C=C\OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940747 |