| SpectraBase Spectrum ID |
2TzKG9XwcQO |
| Name |
2-oxo-2-Phenylethyl 4-tert-butylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.141244501 u |
| Formula |
C19H20O3 |
| InChI |
InChI=1S/C19H20O3/c1-19(2,3)16-11-9-15(10-12-16)18(21)22-13-17(20)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3 |
| InChIKey |
NIXSOSYCLZNKAC-UHFFFAOYSA-N |
| Molecular Weight |
296.366 g/mol |
| SMILES |
C=1(C=CC(C(C)(C)C)=CC1)C(OCC(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947449 |
