| SpectraBase Compound ID | GsbDr8VD2e9 |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-13-7-6-10-16(14(13)2)19-17(18)12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3 |
| InChIKey | URRUQWQULBEXIF-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C17H18O2 |
| Exact Mass | 254.13068 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 | 5dFfttlQBcn |
|---|---|
| Name | 3-Phenylpropionic acid, 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.130679818 u |
| Formula | C17H18O2 |
| InChI | InChI=1S/C17H18O2/c1-13-7-6-10-16(14(13)2)19-17(18)12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3 |
| InChIKey | URRUQWQULBEXIF-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)OC=1C=CC=C(C)C1C |