| SpectraBase Compound ID | 2PU1iqTXvLy |
|---|---|
| InChI | InChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h9-10,12H,2-8,11H2,1H3/b10-9+ |
| InChIKey | CWGSMVDQCFKHOS-MDZDMXLPSA-N |
| Mol Weight | 281.22 g/mol |
| Molecular Formula | C13H22Cl2O2 |
| Exact Mass | 280.099685 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3tAhhkubiWY |
|---|---|
| Name | Dichloroacetic acid, undec-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.099685346 u |
| Formula | C13H22Cl2O2 |
| InChI | InChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h9-10,12H,2-8,11H2,1H3/b10-9+ |
| InChIKey | CWGSMVDQCFKHOS-MDZDMXLPSA-N |
| SMILES | C(C(=O)OC\C=C\CCCCCCCC)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948803 |