SpectraBase Spectrum ID |
BDF2hNmQZgg |
Name |
(4E)-2,2-Dimethyl-6-phenyl-4-hexen-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
202.135765199 u |
Formula |
C14H18O |
InChI |
InChI=1S/C14H18O/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3/b11-7+ |
InChIKey |
NXBXKFXMNLPRHG-YRNVUSSQSA-N |
Molecular Weight |
202.297 g/mol |
SMILES |
C(C(C)(C)C)(\C=C\CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900179 |