| SpectraBase Spectrum ID |
3kY9BeUepoF |
| Name |
(E)-2,2-Dimethyl-7-phenyl-6-hepten-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-15(2,3)14(16)12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3/b11-7+ |
| InChIKey |
ZOXTZDSUAMFPOO-YRNVUSSQSA-N |
| Molecular Weight |
216.324 g/mol |
| SMILES |
C(C(=O)CC\C=C\C=1C=CC=CC1)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835024 |
