| SpectraBase Compound ID | 5VeD6OBhiLG |
|---|---|
| InChI | InChI=1S/C8H15ClO3/c1-3-4-7(2)12-8(10)11-6-5-9/h7H,3-6H2,1-2H3 |
| InChIKey | SZKCCRPOBUCLRZ-UHFFFAOYSA-N |
| Mol Weight | 194.66 g/mol |
| Molecular Formula | C8H15ClO3 |
| Exact Mass | 194.070972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FxQeAjkqgse |
|---|---|
| Name | Carbonic acid, 2-chloroethyl 2-pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.070972040 u |
| Formula | C8H15ClO3 |
| InChI | InChI=1S/C8H15ClO3/c1-3-4-7(2)12-8(10)11-6-5-9/h7H,3-6H2,1-2H3 |
| InChIKey | SZKCCRPOBUCLRZ-UHFFFAOYSA-N |
| Molecular Weight | 194.658 g/mol |
| SMILES | C(CCl)OC(=O)OC(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828822 |