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2'-(N-Propyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)

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

2'-(N-Propyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)
SpectraBase Compound ID BEklICATGii
InChI InChI=1S/C21H24O5/c1-5-12-26-20-14-17(24-3)13-19(25-4)21(20)18(22)11-8-15-6-9-16(23-2)10-7-15/h6-11,13-14H,5,12H2,1-4H3/b11-8+
InChIKey GDJOHGVALPDGAK-DHZHZOJOSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1HJdglVJeNJ
Name 2'-(N-Propyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-5-12-26-20-14-17(24-3)13-19(25-4)21(20)18(22)11-8-15-6-9-16(23-2)10-7-15/h6-11,13-14H,5,12H2,1-4H3/b11-8+
InChIKey GDJOHGVALPDGAK-DHZHZOJOSA-N
Molecular Weight 356.418 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OCCC)C(\C=C\C=1C=CC(OC)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970311