| SpectraBase Compound ID | Ll4LmDoyngw |
|---|---|
| InChI | InChI=1S/C11H10Cl2O3/c12-8-3-1-4-9(7-8)16-11(15)6-2-5-10(13)14/h1,3-4,7H,2,5-6H2 |
| InChIKey | GAWPHQWVXUGOGJ-UHFFFAOYSA-N |
| Mol Weight | 261.1 g/mol |
| Molecular Formula | C11H10Cl2O3 |
| Exact Mass | 260.0007 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | U6tvIVVEb9 |
|---|---|
| Name | Glutaric acid, monochloride, 3-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.000699579 u |
| Formula | C11H10Cl2O3 |
| InChI | InChI=1S/C11H10Cl2O3/c12-8-3-1-4-9(7-8)16-11(15)6-2-5-10(13)14/h1,3-4,7H,2,5-6H2 |
| InChIKey | GAWPHQWVXUGOGJ-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(OC(=O)CCCC(Cl)=O)C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946589 |