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4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-3-METHYL-BENZOIC-ACID;4-CARBOXY-PENNSYLVANIA-GREEN
SpectraBase Compound ID 7bU93gGeoKd
InChI InChI=1S/C21H12F2O5/c1-9-4-10(21(26)27)2-3-11(9)20-12-5-14(22)16(24)7-18(12)28-19-8-17(25)15(23)6-13(19)20/h2-8,24H,1H3,(H,26,27)
InChIKey XUNQGAYPSJNQMX-UHFFFAOYSA-N
Mol Weight 382.32 g/mol
Molecular Formula C21H12F2O5
Exact Mass 382.06528 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Chf3Pk3o2ef
Name 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-3-METHYL-BENZOIC-ACID;4-CARBOXY-PENNSYLVANIA-GREEN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H12F2O5
InChI InChI=1S/C21H12F2O5/c1-9-4-10(21(26)27)2-3-11(9)20-12-5-14(22)16(24)7-18(12)28-19-8-17(25)15(23)6-13(19)20/h2-8,24H,1H3,(H,26,27)
InChIKey XUNQGAYPSJNQMX-UHFFFAOYSA-N
Literature Reference Author L.F.MOTTRAM,S.BOONYARATTANAKALIN,R.E.KOVEL,B.R.PETERSON
Literature Reference Citation ORG.LETTERS,8,581(2006)
Literature Reference DOI 10.1021/ol052655g
Solvent D2O:NAOD
Source File Reference UWSI40294