| SpectraBase Compound ID | 1PaH5IbOMGa |
|---|---|
| InChI | InChI=1S/C18H27ClO3/c1-13(2)8-6-5-7-11-21-18(20)15(4)22-17-10-9-16(19)12-14(17)3/h9-10,12-13,15H,5-8,11H2,1-4H3 |
| InChIKey | QSERAAUJOZXWGA-UHFFFAOYSA-N |
| Mol Weight | 326.86 g/mol |
| Molecular Formula | C18H27ClO3 |
| Exact Mass | 326.164872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bz0xZgUHHN |
|---|---|
| Name | Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, isooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.164872426 u |
| Formula | C18H27ClO3 |
| InChI | InChI=1S/C18H27ClO3/c1-13(2)8-6-5-7-11-21-18(20)15(4)22-17-10-9-16(19)12-14(17)3/h9-10,12-13,15H,5-8,11H2,1-4H3 |
| InChIKey | QSERAAUJOZXWGA-UHFFFAOYSA-N |
| Molecular Weight | 326.864 g/mol |
| SMILES | C1(=C(C=CC(=C1)Cl)OC(C(OCCCCCC(C)C)=O)C)C |