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3-Pentanone, 4-methoxy-4-methyl-1-(4-methylphenyl)-
SpectraBase Compound ID DW1AlLqTbPX
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
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Raman Spectrum

Raman Spectrum

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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