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EXO-8-PHENYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,5-DIEN-ENDO-7-OL ETHYLSULPHATE
SpectraBase Compound ID 4gOjtgVn21B
InChI InChI=1S/C20H16F4O4S2/c1-2-27-30(25,26)28-19-11-8-9-12(20(19)29-10-6-4-3-5-7-10)14-13(11)15(21)17(23)18(24)16(14)22/h3-9,11-12,19-20H,2H2,1H3/t11-,12+,19+,20+/m1/s1
InChIKey JBMIYLXDJBLQBE-JJWOIWCPSA-N
Mol Weight 460.46 g/mol
Molecular Formula C20H16F4O4S2
Exact Mass 460.042614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4boRcC2bzxq
Name EXO-8-PHENYLTHIO-2,3-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTA-2,5-DIEN-ENDO-7-OL ETHYLSULPHATE
Comments R=
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16F4O4S2
InChI InChI=1S/C20H16F4O4S2/c1-2-27-30(25,26)28-19-11-8-9-12(20(19)29-10-6-4-3-5-7-10)14-13(11)15(21)17(23)18(24)16(14)22/h3-9,11-12,19-20H,2H2,1H3/t11-,12+,19+,20+/m1/s1
InChIKey JBMIYLXDJBLQBE-JJWOIWCPSA-N
Instrument Name Varian CFT-20
Literature Reference N.S.ZEFIROV, N.V.ZYK, YU.A.LAPIN, A.G.KUTATELADZE, B.I.UGRAK (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N6, 1126-1147.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d