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7-Hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

7-Hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one, bis(trifluoroacetate)
SpectraBase Compound ID LKqa3Z1LJXK
InChI InChI=1S/C16H10F6O6/c1-7-9-3-2-8(27-14(25)16(20,21)22)6-11(9)28-12(23)10(7)4-5-26-13(24)15(17,18)19/h2-3,6H,4-5H2,1H3
InChIKey DMEUYOYSQUYJTB-UHFFFAOYSA-N
Mol Weight 412.24 g/mol
Molecular Formula C16H10F6O6
Exact Mass 412.038157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgRH11b82eD
Name 7-Hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.038157014 u
Formula C16H10F6O6
InChI InChI=1S/C16H10F6O6/c1-7-9-3-2-8(27-14(25)16(20,21)22)6-11(9)28-12(23)10(7)4-5-26-13(24)15(17,18)19/h2-3,6H,4-5H2,1H3
InChIKey DMEUYOYSQUYJTB-UHFFFAOYSA-N
Molecular Weight 412.240 g/mol
SMILES C1=2OC(C(=C(C2C=CC(=C1)OC(C(F)(F)F)=O)C)CCOC(C(F)(F)F)=O)=O