| SpectraBase Compound ID | LGIGgjqk35t |
|---|---|
| InChI | InChI=1S/C10H11ClO3/c1-13-9-4-2-8(3-5-9)7-14-10(12)6-11/h2-5H,6-7H2,1H3 |
| InChIKey | LSEXLYVLRFXXFW-UHFFFAOYSA-N |
| Mol Weight | 214.65 g/mol |
| Molecular Formula | C10H11ClO3 |
| Exact Mass | 214.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3v2r7G3I13M |
|---|---|
| Name | Chloroacetic acid, 4-methoxybenzyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.039671911 u |
| Formula | C10H11ClO3 |
| InChI | InChI=1S/C10H11ClO3/c1-13-9-4-2-8(3-5-9)7-14-10(12)6-11/h2-5H,6-7H2,1H3 |
| InChIKey | LSEXLYVLRFXXFW-UHFFFAOYSA-N |
| Molecular Weight | 214.648 g/mol |
| SMILES | COC1=CC=C(C=C1)COC(=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839316 |