| SpectraBase Compound ID | AcGc3a3D5BU |
|---|---|
| InChI | InChI=1S/C7H11ClO3/c1-10-7(9)6-4-5(8)2-3-11-6/h5-6H,2-4H2,1H3 |
| InChIKey | VMTMTNPQFMWEAN-UHFFFAOYSA-N |
| Mol Weight | 178.61 g/mol |
| Molecular Formula | C7H11ClO3 |
| Exact Mass | 178.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ls0sPR4pEWr |
|---|---|
| Name | 4-Chloro-2-oxanecarboxylic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.039671911 u |
| Formula | C7H11ClO3 |
| InChI | InChI=1S/C7H11ClO3/c1-10-7(9)6-4-5(8)2-3-11-6/h5-6H,2-4H2,1H3 |
| InChIKey | VMTMTNPQFMWEAN-UHFFFAOYSA-N |
| Molecular Weight | 178.615 g/mol |
| SMILES | C(C1CC(Cl)CCO1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848654 |