| SpectraBase Compound ID | I4SMuLLmSyj |
|---|---|
| InChI | InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h2-13H2,1H3 |
| InChIKey | PPRUSMUBWUQYRY-UHFFFAOYSA-N |
| Mol Weight | 262.82 g/mol |
| Molecular Formula | C14H27ClO2 |
| Exact Mass | 262.169958 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GbVrQSN7K0q |
|---|---|
| Name | Lauric acid .beta.-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.169957807 u |
| Formula | C14H27ClO2 |
| InChI | InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h2-13H2,1H3 |
| InChIKey | PPRUSMUBWUQYRY-UHFFFAOYSA-N |
| Molecular Weight | 262.821 g/mol |
| SMILES | C(CCC(OCCCl)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959832 |