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2-OXABICYCLO[4.2.0]OCT-4-EN-3-ONE, REL-(1R,6S,7S,8S)-5-METHOXY-8-(4-METHOXY-2-OXO-2H-PYRAN-6-YL)-7-(2-FLUOROPHENYL)-1-[(E)-2-(2-FLUORO
SpectraBase Compound ID DAJSg1BYztV
InChI InChI=1S/C22H18F2O3.C6H6O3/c1-26-19-12-20(25)27-22(11-10-14-6-2-4-8-17(14)23)13-16(21(19)22)15-7-3-5-9-18(15)24;1-8-5-2-3-9-6(7)4-5/h2-12,16,21H,13H2,1H3;2-4H,1H3/b11-10+;
InChIKey LHXQXRZEGWCVBR-ASTDGNLGSA-N
Mol Weight 494.49 g/mol
Molecular Formula C28H24F2O6
Exact Mass 494.154095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu9dHWhGyk8
Name 2-OXABICYCLO[4.2.0]OCT-4-EN-3-ONE, REL-(1R,6S,7S,8S)-5-METHOXY-8-(4-METHOXY-2-OXO-2H-PYRAN-6-YL)-7-(2-FLUOROPHENYL)-1-[(E)-2-(2-FLUORO
Alternate Name(s) 2-OXABICYCLO[4.2.0]OCT-4-EN-3-ONE, REL-(1R,6S,7S,8S)-5-METHOXY-8-(4-METHOXY-2-OXO-2H-PYRAN-6-YL)-7-(2-FLUOROPHENYL)-1-[(E)-2-(2-FLUOROPHENYL)ETHENYL]-
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Formula C28H22F2O6
InChI InChI=1S/C22H18F2O3.C6H6O3/c1-26-19-12-20(25)27-22(11-10-14-6-2-4-8-17(14)23)13-16(21(19)22)15-7-3-5-9-18(15)24;1-8-5-2-3-9-6(7)4-5/h2-12,16,21H,13H2,1H3;2-4H,1H3/b11-10+;
InChIKey LHXQXRZEGWCVBR-ASTDGNLGSA-N
Instrument Name 311A
Molecular Weight 494.1534
SMILES C=1OC(=O)C=C(OC)C1.C1(=O)C=C(OC)C2C(\C=C\c3ccccc3F)(O1)CC2c1c(F)cccc1
SPLASH splash10-00kb-4980000000-926415d1b654695f9838
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany