| SpectraBase Compound ID | K1C3ZRsZ5c1 |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c12-9-11(13)14-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | HTTWQUXWZPNKIN-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HH6jRPFFeYO |
|---|---|
| Name | Acetic acid, chloro-, 3-phenylpropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c12-9-11(13)14-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | HTTWQUXWZPNKIN-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(Cl)C(=O)OCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892428 |