| SpectraBase Compound ID | Lgr7zKPd8YQ |
|---|---|
| InChI | InChI=1S/C24H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-28-23-18-16-22(25)17-19-23/h16-19H,2-15,20-21H2,1H3 |
| InChIKey | JWNNWWGRPGWOPQ-UHFFFAOYSA-N |
| Mol Weight | 411.0 g/mol |
| Molecular Formula | C24H39ClO3 |
| Exact Mass | 410.258773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ccu8Nr4BPh |
|---|---|
| Name | Acetic acid, (4-chlorophenoxy)-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.258772813 u |
| Formula | C24H39ClO3 |
| InChI | InChI=1S/C24H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-28-23-18-16-22(25)17-19-23/h16-19H,2-15,20-21H2,1H3 |
| InChIKey | JWNNWWGRPGWOPQ-UHFFFAOYSA-N |
| Molecular Weight | 411.026 g/mol |
| SMILES | C(C(OCCCCCCCCCCCCCCCC)=O)OC1=CC=C(C=C1)Cl |