| SpectraBase Compound ID | xXV0co696 |
|---|---|
| InChI | InChI=1S/C10H11ClO3/c1-8(12)13-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3 |
| InChIKey | WCLJVWPVUYADPB-UHFFFAOYSA-N |
| Mol Weight | 214.65 g/mol |
| Molecular Formula | C10H11ClO3 |
| Exact Mass | 214.039672 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 66X7uwwWiSd |
|---|---|
| Name | Ethanol, 2-(4-chlorophenoxy)-, acetate |
| 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/c1-8(12)13-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3 |
| InChIKey | WCLJVWPVUYADPB-UHFFFAOYSA-N |
| Molecular Weight | 214.648 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)OCCOC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976131 |