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2-Hydroxy-3-methoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2-Hydroxy-3-methoxychalcone, pentafluoropropionate
SpectraBase Compound ID IPOP1V0x4x5
InChI InChI=1S/C19H13F5O4/c1-27-15-9-5-8-13(10-11-14(25)12-6-3-2-4-7-12)16(15)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-10+
InChIKey JRUISILYESKEQO-ZHACJKMWSA-N
Mol Weight 400.3 g/mol
Molecular Formula C19H13F5O4
Exact Mass 400.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zckGtlGLri
Name 2-Hydroxy-3-methoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.073399710 u
Formula C19H13F5O4
InChI InChI=1S/C19H13F5O4/c1-27-15-9-5-8-13(10-11-14(25)12-6-3-2-4-7-12)16(15)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-10+
InChIKey JRUISILYESKEQO-ZHACJKMWSA-N
Molecular Weight 400.301 g/mol
SMILES C1(=CC=CC=C1)C(\C=C\C1=C(C(=CC=C1)OC)OC(C(C(F)(F)F)(F)F)=O)=O