| SpectraBase Compound ID | CZ6T99I76Ub |
|---|---|
| InChI | InChI=1S/C16H14O3/c17-12-14-8-4-5-9-15(14)16(18)19-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2 |
| InChIKey | KQNMLAVTNUFBMY-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 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 | H72U7UOXAdd |
|---|---|
| Name | 2-Phenylethyl 2-formylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.094294308 u |
| Formula | C16H14O3 |
| InChI | InChI=1S/C16H14O3/c17-12-14-8-4-5-9-15(14)16(18)19-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2 |
| InChIKey | KQNMLAVTNUFBMY-UHFFFAOYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C(C=1C(C=O)=CC=CC1)(=O)OCCC=1C=CC=CC1 |