| SpectraBase Spectrum ID |
EcUetHvr9dr |
| Name |
5-Keto-6,6-dimethyl-3-phenyl-enanthic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-18(2,3)16(20)12-15(14-10-8-7-9-11-14)13-17(21)22-19(4,5)6/h7-11,15H,12-13H2,1-6H3 |
| InChIKey |
AACCQNPWMCIHRW-UHFFFAOYSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
C(CC(CC(C(C)(C)C)=O)C=1C=CC=CC1)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968745 |
