| SpectraBase Compound ID | 1NwTygqJTG3 |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-5-6-9-16-14(15)13-8-7-11(2)10-12(13)3/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | ULKNIPHPFJWYJI-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 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 | HX9itZpNUFL |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-4-5-6-9-16-14(15)13-8-7-11(2)10-12(13)3/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | ULKNIPHPFJWYJI-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(C1=CC=C(C=C1C)C)(=O)OCCCCC |