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6-(4-Methoxyphenyl)hex-3-en-2-one

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

6-(4-Methoxyphenyl)hex-3-en-2-one
SpectraBase Compound ID KbCjGKrxJf6
InChI InChI=1S/C13H16O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3/b5-3+
InChIKey VHCHKVTYZDWNGL-HWKANZROSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4eYtg7JHcph
Name 6-(4-Methoxyphenyl)hex-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3/b5-3+
InChIKey VHCHKVTYZDWNGL-HWKANZROSA-N
Molecular Weight 204.269 g/mol
SMILES CC(\C=C\CCC1=CC=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946251