SpectraBase Spectrum ID |
JP6RiRwr0oZ |
Name |
3-Pentanone, 4-methoxy-4-methyl-1-(4-methylphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
220.146329882 u |
Formula |
C14H20O2 |
InChI |
InChI=1S/C14H20O2/c1-11-5-7-12(8-6-11)9-10-13(15)14(2,3)16-4/h5-8H,9-10H2,1-4H3 |
InChIKey |
KWJDKFBYDGYOJJ-UHFFFAOYSA-N |
Molecular Weight |
220.312 g/mol |
SMILES |
COC(C(CCC1=CC=C(C=C1)C)=O)(C)C |
Spectrum/Structure Validation Score (Raman) |
0.869291 |