| SpectraBase Compound ID | IpD3PPz7ctT |
|---|---|
| InChI | InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h11-14H,2-10,15H2,1H3 |
| InChIKey | MEWVVEWZGJOCOB-UHFFFAOYSA-N |
| Mol Weight | 310.87 g/mol |
| Molecular Formula | C18H27ClO2 |
| Exact Mass | 310.169958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CU183DuelHk |
|---|---|
| Name | 4-Chlorobenzoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.169957807 u |
| Formula | C18H27ClO2 |
| InChI | InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h11-14H,2-10,15H2,1H3 |
| InChIKey | MEWVVEWZGJOCOB-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCC)OC(=O)C1=CC=C(C=C1)Cl |