| SpectraBase Compound ID | ATAFoiCdHkw |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-4-5-6-7-8-15(16)18-14-11-9-13(17-2)10-12-14/h9-12H,3-8H2,1-2H3 |
| InChIKey | ZYRMFAWNABLGKS-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4Uk3yxtN7a3 |
|---|---|
| Name | Octanoic acid, 4-methoxyphenyl 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/c1-3-4-5-6-7-8-15(16)18-14-11-9-13(17-2)10-12-14/h9-12H,3-8H2,1-2H3 |
| InChIKey | ZYRMFAWNABLGKS-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | CCCCCCCC(OC1=CC=C(OC)C=C1)=O |