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9-[5-(2-fluorophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID Iel9nR9gFeY
InChI InChI=1S/C27H27FO4/c1-26(2)11-17(29)23-21(13-26)32-22-14-27(3,4)12-18(30)24(22)25(23)20-10-9-19(31-20)15-7-5-6-8-16(15)28/h5-10,25H,11-14H2,1-4H3
InChIKey KOILAOYHQRDEEV-UHFFFAOYSA-N
Mol Weight 434.51 g/mol
Molecular Formula C27H27FO4
Exact Mass 434.189338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHqRBhlKWDG
Name 9-[5-(2-Fluorophenyl)-2-furyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.189337508 u
Formula C27H27FO4
InChI InChI=1S/C27H27FO4/c1-26(2)11-17(29)23-21(13-26)32-22-14-27(3,4)12-18(30)24(22)25(23)20-10-9-19(31-20)15-7-5-6-8-16(15)28/h5-10,25H,11-14H2,1-4H3
InChIKey KOILAOYHQRDEEV-UHFFFAOYSA-N
Molecular Weight 434.507 g/mol
SMILES C1=2C(C=3C(CC(CC3OC2CC(CC1=O)(C)C)(C)C)=O)C=1OC(C2=C(F)C=CC=C2)=CC1