| SpectraBase Compound ID | KZKNyktEeXe |
|---|---|
| InChI | InChI=1S/C21H33ClO3/c1-3-4-5-6-7-8-9-10-11-12-15-24-21(23)17-25-20-14-13-19(22)16-18(20)2/h13-14,16H,3-12,15,17H2,1-2H3 |
| InChIKey | KSMZDQFVAXUEOR-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C21H33ClO3 |
| Exact Mass | 368.211823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8wP75XAWA0 |
|---|---|
| Name | Acetic acid, (4-chloro-2-methylphenoxy)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.211822620 u |
| Formula | C21H33ClO3 |
| InChI | InChI=1S/C21H33ClO3/c1-3-4-5-6-7-8-9-10-11-12-15-24-21(23)17-25-20-14-13-19(22)16-18(20)2/h13-14,16H,3-12,15,17H2,1-2H3 |
| InChIKey | KSMZDQFVAXUEOR-UHFFFAOYSA-N |
| Molecular Weight | 368.945 g/mol |
| SMILES | C(C(=O)OCCCCCCCCCCCC)OC=1C=CC(=CC1C)Cl |