| SpectraBase Compound ID | 58Nogcx9Tyu |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h8-12H,3-7H2,1-2H3 |
| InChIKey | PXAISRNYDYCVOU-UHFFFAOYSA-N |
| Mol Weight | 268.78 g/mol |
| Molecular Formula | C15H21ClO2 |
| Exact Mass | 268.123008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CFGHKTPYm6K |
|---|---|
| Name | 4-Chlorobenzoic acid, 2-octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.123007614 u |
| Formula | C15H21ClO2 |
| InChI | InChI=1S/C15H21ClO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h8-12H,3-7H2,1-2H3 |
| InChIKey | PXAISRNYDYCVOU-UHFFFAOYSA-N |
| SMILES | C(C(OC(=O)C=1C=CC(=CC1)Cl)C)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937658 |