| SpectraBase Compound ID | CsUPQnWa9eQ |
|---|---|
| InChI | InChI=1S/C10H19ClO3/c1-9(5-7-13-2)8-14-10(12)4-3-6-11/h9H,3-8H2,1-2H3 |
| InChIKey | GJHPDBDYVXVFNP-UHFFFAOYSA-N |
| Mol Weight | 222.71 g/mol |
| Molecular Formula | C10H19ClO3 |
| Exact Mass | 222.102272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GOB5uxi1lnw |
|---|---|
| Name | 4-Chlorobutyric acid, 4-methoxy-2-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.102272169 u |
| Formula | C10H19ClO3 |
| InChI | InChI=1S/C10H19ClO3/c1-9(5-7-13-2)8-14-10(12)4-3-6-11/h9H,3-8H2,1-2H3 |
| InChIKey | GJHPDBDYVXVFNP-UHFFFAOYSA-N |
| Molecular Weight | 222.712 g/mol |
| SMILES | COCCC(COC(CCCCl)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991453 |