| SpectraBase Compound ID | EFlSos03kfR |
|---|---|
| InChI | InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3 |
| InChIKey | LZZUEDTUAJZZBG-UHFFFAOYSA-N |
| Mol Weight | 310.87 g/mol |
| Molecular Formula | C18H27ClO2 |
| Exact Mass | 310.169958 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3GkdfCJwOSq |
|---|---|
| Name | 2-Chlorobenzoic acid, undecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.169957807 u |
| Formula | C18H27ClO2 |
| InChI | InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3 |
| InChIKey | LZZUEDTUAJZZBG-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCCCCC)(=O)C=1C=CC=CC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87914 |