| SpectraBase Compound ID | E5BkHAudBry |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-4-5-6-7-11-15(16)17-14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3 |
| InChIKey | VPZWDKNEKVKFOJ-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NsQ4Rw12pb |
|---|---|
| Name | Octanoic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-3-4-5-6-7-11-15(16)17-14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3 |
| InChIKey | VPZWDKNEKVKFOJ-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | CCCCCCCC(OC=1C=CC=C(C)C1)=O |