| SpectraBase Compound ID | A3bd1aqkxcA |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-3-4-5-6-10-13-15(16(17)18-2)14-11-8-7-9-12-14/h7-9,11-12,15H,3-6,10,13H2,1-2H3 |
| InChIKey | RTLAWGKPNSUEKO-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 | GmsRbsgLZ6H |
|---|---|
| Name | Nonanoic acid, 2-phenyl-, 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/c1-3-4-5-6-10-13-15(16(17)18-2)14-11-8-7-9-12-14/h7-9,11-12,15H,3-6,10,13H2,1-2H3 |
| InChIKey | RTLAWGKPNSUEKO-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(C(C(OC)=O)C1=CC=CC=C1)CCCCCC |