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3-PHENYLTHIO-6,9,10-TRIMETHYL-12-HYDROXY-TRICYCLO-[7.4.0.0(2,6)]-TRIDECA-2,10-DIENE-4,8-DIONE-PARA-BROMOBENZOATE
SpectraBase Compound ID 3UEnJ0TRHF7
InChI InChI=1S/C29H27BrO4S/c1-17-13-20(34-27(33)18-9-11-19(30)12-10-18)14-22-25-26(35-21-7-5-4-6-8-21)23(31)15-28(25,2)16-24(32)29(17,22)3/h4-13,20,22H,14-16H2,1-3H3
InChIKey HJPVROUYKFNFMU-UHFFFAOYSA-N
Mol Weight 551.5 g/mol
Molecular Formula C29H27BrO4S
Exact Mass 550.081344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGBtEFcs62T
Name 3-PHENYLTHIO-6,9,10-TRIMETHYL-12-HYDROXY-TRICYCLO-[7.4.0.0(2,6)]-TRIDECA-2,10-DIENE-4,8-DIONE-PARA-BROMOBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27BrO4S
InChI InChI=1S/C29H27BrO4S/c1-17-13-20(34-27(33)18-9-11-19(30)12-10-18)14-22-25-26(35-21-7-5-4-6-8-21)23(31)15-28(25,2)16-24(32)29(17,22)3/h4-13,20,22H,14-16H2,1-3H3
InChIKey HJPVROUYKFNFMU-UHFFFAOYSA-N
Literature Reference Author W.A.AYER,D.E.WARD,L.M.BROWNE,L.T.J.DELBAERE,Y.HOYANO
Literature Reference Citation CAN.J.CHEM.,59,2665(1981)
Literature Reference DOI 10.1139/v81-383
Molecular Weight 551.495 g/mol
Solvent CDCl3
Source File Reference UWED4548