| SpectraBase Compound ID | 5hI2WZ950p7 |
|---|---|
| InChI | InChI=1S/C16H23ClO2/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12H,2-8,13H2,1H3 |
| InChIKey | ZGGCOLIJJWJZNM-UHFFFAOYSA-N |
| Mol Weight | 282.81 g/mol |
| Molecular Formula | C16H23ClO2 |
| Exact Mass | 282.138658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | APiHdhbDH5G |
|---|---|
| Name | 4-Chlorobenzoic acid, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.138657679 u |
| Formula | C16H23ClO2 |
| InChI | InChI=1S/C16H23ClO2/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12H,2-8,13H2,1H3 |
| InChIKey | ZGGCOLIJJWJZNM-UHFFFAOYSA-N |
| SMILES | C(COC(=O)C1=CC=C(C=C1)Cl)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915719 |