| SpectraBase Compound ID | GrdQiZLUamF |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-4-5-6-11-15(16)18-14-10-8-7-9-13(14)17-12(2)3/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey | AHIRKARFAGOCPB-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPXrRkPD2Hv |
|---|---|
| Name | Hexanoic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-4-5-6-11-15(16)18-14-10-8-7-9-13(14)17-12(2)3/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey | AHIRKARFAGOCPB-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1(=CC=CC=C1OC(C)C)OC(=O)CCCCC |