| SpectraBase Compound ID | KpAyV9NuYgb |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h10-13H,3-9H2,1-2H3 |
| InChIKey | NKSKNAWLKUQLNY-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 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 | 1MLcreop6DC |
|---|---|
| Name | 4-Octylbenzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h10-13H,3-9H2,1-2H3 |
| InChIKey | NKSKNAWLKUQLNY-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCCCCCC)(=O)OC |