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5'-Fluoro-2'-isopropyloxy-4-methoxychalcone (isomer 1)

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

5'-Fluoro-2'-isopropyloxy-4-methoxychalcone (isomer 1)
SpectraBase Compound ID HmqeuH9Q4qe
InChI InChI=1S/C19H19FO3/c1-13(2)23-19-11-7-15(20)12-17(19)18(21)10-6-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3/b10-6+
InChIKey IUXMZNSPYDGCRR-UXBLZVDNSA-N
Mol Weight 314.36 g/mol
Molecular Formula C19H19FO3
Exact Mass 314.131823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2YuEw9vhO8o
Name 5'-Fluoro-2'-isopropyloxy-4-methoxychalcone (isomer 1)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.131822632 u
Formula C19H19FO3
InChI InChI=1S/C19H19FO3/c1-13(2)23-19-11-7-15(20)12-17(19)18(21)10-6-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3/b10-6+
InChIKey IUXMZNSPYDGCRR-UXBLZVDNSA-N
Molecular Weight 314.356 g/mol
SMILES C1(=C(C=CC(=C1)F)OC(C)C)C(\C=C\C=1C=CC(=CC1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917289