| SpectraBase Compound ID | HGlMMuLu60Z |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-4-5-6-7-8-13-17(18)20-16-12-10-9-11-15(16)19-14(2)3/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey | XFPHKCCBZQXBLC-UHFFFAOYSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kxe5NnefDex |
|---|---|
| Name | Octanoic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.188194694 u |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-4-5-6-7-8-13-17(18)20-16-12-10-9-11-15(16)19-14(2)3/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey | XFPHKCCBZQXBLC-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C1(=CC=CC=C1OC(C)C)OC(=O)CCCCCCC |