| SpectraBase Compound ID | HfNMWNwN2Sy |
|---|---|
| InChI | InChI=1S/C15H11ClO3/c1-10(17)11-4-8-14(9-5-11)19-15(18)12-2-6-13(16)7-3-12/h2-9H,1H3 |
| InChIKey | UWNHDKUEVXIFAL-UHFFFAOYSA-N |
| Mol Weight | 274.7 g/mol |
| Molecular Formula | C15H11ClO3 |
| Exact Mass | 274.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9MxAFs1uLC3 |
|---|---|
| Name | Benzoic acid, 4-chloro-, 4-acetylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.039671911 u |
| Formula | C15H11ClO3 |
| InChI | InChI=1S/C15H11ClO3/c1-10(17)11-4-8-14(9-5-11)19-15(18)12-2-6-13(16)7-3-12/h2-9H,1H3 |
| InChIKey | UWNHDKUEVXIFAL-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(C(C)=O)C=C1)(C1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967019 |