| SpectraBase Compound ID | AphRfnDtVBS |
|---|---|
| InChI | InChI=1S/C12H23ClO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h11H,3-10H2,1-2H3 |
| InChIKey | OOOCYBWKLRBAHC-UHFFFAOYSA-N |
| Mol Weight | 234.77 g/mol |
| Molecular Formula | C12H23ClO2 |
| Exact Mass | 234.138658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BxjFDnQ3Zzz |
|---|---|
| Name | Isobutyric acid, 8-chlorooctyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.138657679 u |
| Formula | C12H23ClO2 |
| InChI | InChI=1S/C12H23ClO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h11H,3-10H2,1-2H3 |
| InChIKey | OOOCYBWKLRBAHC-UHFFFAOYSA-N |
| Molecular Weight | 234.767 g/mol |
| SMILES | C(=O)(C(C)C)OCCCCCCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911582 |