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4'-(Acetyl)oxy-4-methoxy-2'-methylchalcone (isomer 2)

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

4'-(Acetyl)oxy-4-methoxy-2'-methylchalcone (isomer 2)
SpectraBase Compound ID LCRHwfSXxIN
InChI InChI=1S/C19H18O4/c1-13-12-17(23-14(2)20)9-10-18(13)19(21)11-6-15-4-7-16(22-3)8-5-15/h4-12H,1-3H3/b11-6+
InChIKey GFUYFPAMLOCSOW-IZZDOVSWSA-N
Mol Weight 310.35 g/mol
Molecular Formula C19H18O4
Exact Mass 310.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E1iqMrtOqZP
Name 4'-(Acetyl)oxy-4-methoxy-2'-methylchalcone (isomer 2)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.120509056 u
Formula C19H18O4
InChI InChI=1S/C19H18O4/c1-13-12-17(23-14(2)20)9-10-18(13)19(21)11-6-15-4-7-16(22-3)8-5-15/h4-12H,1-3H3/b11-6+
InChIKey GFUYFPAMLOCSOW-IZZDOVSWSA-N
Molecular Weight 310.349 g/mol
SMILES C1(=C(C=C(C=C1)OC(C)=O)C)C(\C=C\C=1C=CC(OC)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800219