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4-(CYCLOHEPT-1-ENYL)-3,5,6,7,8,9-HEXAHYDRO-1H-2-THIACYCLOHEPTA-[F]-INDENE-2-OXIDE
SpectraBase Compound ID LmWYiACpaxc
InChI InChI=1S/2C20H26OS/c2*21-22-13-17-12-16-10-6-3-7-11-18(16)20(19(17)14-22)15-8-4-1-2-5-9-15/h2*8,12H,1-7,9-11,13-14H2
InChIKey CCEKBSXWZZMAQN-UHFFFAOYSA-N
Mol Weight 628.97 g/mol
Molecular Formula C40H52O2S2
Exact Mass 628.340873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RW9le8pAqm
Name 4-(CYCLOHEPT-1-ENYL)-3,5,6,7,8,9-HEXAHYDRO-1H-2-THIACYCLOHEPTA-[F]-INDENE-2-OXIDE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52O2S2
InChI InChI=1S/2C20H26OS/c2*21-22-13-17-12-16-10-6-3-7-11-18(16)20(19(17)14-22)15-8-4-1-2-5-9-15/h2*8,12H,1-7,9-11,13-14H2
InChIKey CCEKBSXWZZMAQN-UHFFFAOYSA-N
Literature Reference Author S.BRAVERMAN,Y.ZAFRANI,H.E.GOTTLIEB
Literature Reference Citation J.ORG.CHEM.,67,3277(2002)
Literature Reference DOI 10.1021/jo010947z
Molecular Weight 628.972 g/mol
Solvent CDCl3
Source File Reference UWLU25616