| SpectraBase Compound ID | 2qSQ8HfzYiC |
|---|---|
| InChI | InChI=1S/C14H17ClO4/c1-2-18-13(16)5-3-4-6-14(17)19-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3 |
| InChIKey | UYEUIAZEVQHQBL-UHFFFAOYSA-N |
| Mol Weight | 284.74 g/mol |
| Molecular Formula | C14H17ClO4 |
| Exact Mass | 284.081537 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LHsDUagdAfH |
|---|---|
| Name | Adipic acid, 4-chlorophenyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.081536723 u |
| Formula | C14H17ClO4 |
| InChI | InChI=1S/C14H17ClO4/c1-2-18-13(16)5-3-4-6-14(17)19-12-9-7-11(15)8-10-12/h7-10H,2-6H2,1H3 |
| InChIKey | UYEUIAZEVQHQBL-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCCCC(=O)OC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817829 |