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5E-6A-CARBA-15-FLUORO-13,14-DIDEHYDROPROSTAGLANDIN I2
SpectraBase Compound ID D2RgYfv3HrM
InChI InChI=1S/C21H31FO3/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,16-20,23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b15-7+/t16-,17?,18+,19-,20+/m1/s1
InChIKey GQMSGYGPVGOYGH-QDOHORJCSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H31FO3
Exact Mass 350.225723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EM886uNbpzC
Name 5E-6A-CARBA-15-FLUORO-13,14-DIDEHYDROPROSTAGLANDIN I2
Comments O1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H31FO3
InChI InChI=1S/C21H31FO3/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,16-20,23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b15-7+/t16-,17?,18+,19-,20+/m1/s1
InChIKey GQMSGYGPVGOYGH-QDOHORJCSA-N
Instrument Name Bruker AM-500
Literature Reference M.I.LOPP, M.A.BERGMANN, V.V.BEZUGLOV, T.K.VYALIMYAE, A.KH.LOPP, YU.E.LILLE(1988) Bioorganich.Khim.(Russ. Lang.): v.14, N6, 834-838.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3