| SpectraBase Compound ID | A0CNmLXQZjF |
|---|---|
| InChI | InChI=1S/C8H12Cl2O3/c9-5-1-3-7(11)13-8(12)4-2-6-10/h1-6H2 |
| InChIKey | VAXCCWFPTAPDMK-UHFFFAOYSA-N |
| Mol Weight | 227.09 g/mol |
| Molecular Formula | C8H12Cl2O3 |
| Exact Mass | 226.01635 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CUBIaakEVMJ |
|---|---|
| Name | 4-Chlorobutanoic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.016349643 u |
| Formula | C8H12Cl2O3 |
| InChI | InChI=1S/C8H12Cl2O3/c9-5-1-3-7(11)13-8(12)4-2-6-10/h1-6H2 |
| InChIKey | VAXCCWFPTAPDMK-UHFFFAOYSA-N |
| Molecular Weight | 227.087 g/mol |
| SMILES | C(OC(CCCCl)=O)(CCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908412 |