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1-(3,4-Dimethoxyphenyl)pentan-3-one

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(3,4-Dimethoxyphenyl)pentan-3-one
SpectraBase Compound ID ES57wU5UR36
InChI InChI=1S/C13H18O3/c1-4-11(14)7-5-10-6-8-12(15-2)13(9-10)16-3/h6,8-9H,4-5,7H2,1-3H3
InChIKey SOWKMIKWOOVRAB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C1yRMBaSkhM
Name 1-(3,4-Dimethoxyphenyl)pentan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-11(14)7-5-10-6-8-12(15-2)13(9-10)16-3/h6,8-9H,4-5,7H2,1-3H3
InChIKey SOWKMIKWOOVRAB-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(CC(CC)=O)C1=CC(=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978595