| SpectraBase Compound ID | GfAm6QHjCkC |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-4-5-6-7-8-9-17(18)19-16-12-10-15(11-13-16)14(2)3/h10-14H,4-9H2,1-3H3 |
| InChIKey | GSKAVBADIRRGEM-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XkANxMSsEj |
|---|---|
| Name | Octanoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-4-5-6-7-8-9-17(18)19-16-12-10-15(11-13-16)14(2)3/h10-14H,4-9H2,1-3H3 |
| InChIKey | GSKAVBADIRRGEM-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(CCCCCCC)(=O)OC1=CC=C(C(C)C)C=C1 |