| SpectraBase Compound ID | 7M3GwuftnOo |
|---|---|
| InChI | InChI=1S/C19H29ClO2/c1-3-5-6-7-8-9-10-11-18(4-2)22-19(21)16-12-14-17(20)15-13-16/h12-15,18H,3-11H2,1-2H3 |
| InChIKey | VUMGHGMOIFVPCV-UHFFFAOYSA-N |
| Mol Weight | 324.89 g/mol |
| Molecular Formula | C19H29ClO2 |
| Exact Mass | 324.185608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkOOXdmyyAV |
|---|---|
| Name | 4-Chlorobenzoic acid, 3-dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.185607872 u |
| Formula | C19H29ClO2 |
| InChI | InChI=1S/C19H29ClO2/c1-3-5-6-7-8-9-10-11-18(4-2)22-19(21)16-12-14-17(20)15-13-16/h12-15,18H,3-11H2,1-2H3 |
| InChIKey | VUMGHGMOIFVPCV-UHFFFAOYSA-N |
| Molecular Weight | 324.892 g/mol |
| SMILES | C1(C(=O)OC(CCCCCCCCC)CC)=CC=C(C=C1)Cl |