| SpectraBase Compound ID | L7P9YeqEhnh |
|---|---|
| InChI | InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-22-16-18-23(25)19-17-22/h16-19H,2-15,20-21H2,1H3 |
| InChIKey | GADWPBWMJAECSO-UHFFFAOYSA-N |
| Mol Weight | 395.0 g/mol |
| Molecular Formula | C24H39ClO2 |
| Exact Mass | 394.263858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 17wQ7pgwHLu |
|---|---|
| Name | Phenylacetic acid, 4-chloro-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.263858194 u |
| Formula | C24H39ClO2 |
| InChI | InChI=1S/C24H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-22-16-18-23(25)19-17-22/h16-19H,2-15,20-21H2,1H3 |
| InChIKey | GADWPBWMJAECSO-UHFFFAOYSA-N |
| Molecular Weight | 395.027 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O |