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2,9:3,8-ANTI-2,9-CIS-3,8-CIS-5,6,12-TRIS-(METHYLTHIO)-4,7,11-TRITHIATETRACYCLO-[8.2.2.0(2,9).0(3,8)]-TETRADECA-5,13-DIENE-12-DITHIO-CARBOXYLIC-ACID,METHYLESTER

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2,9:3,8-ANTI-2,9-CIS-3,8-CIS-5,6,12-TRIS-(METHYLTHIO)-4,7,11-TRITHIATETRACYCLO-[8.2.2.0(2,9).0(3,8)]-TETRADECA-5,13-DIENE-12-DITHIO-CARBOXYLIC-ACID,METHYLESTER
SpectraBase Compound ID 8UQrCS3lDVE
InChI InChI=1S/C16H20S8/c1-18-13-14(19-2)23-12-10-8-6-5-7(9(10)11(12)22-13)16(21-4,24-8)15(17)20-3/h5-12H,1-4H3/t7-,8+,9-,10+,11+,12-,16+/m1/s1
InChIKey FWCFRIBLKRTRBF-HTZJPKFTSA-N
Mol Weight 468.8 g/mol
Molecular Formula C16H20S8
Exact Mass 467.93307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gl24RnUOYX7
Name 2,9:3,8-ANTI-2,9-CIS-3,8-CIS-5,6,12-TRIS-(METHYLTHIO)-4,7,11-TRITHIATETRACYCLO-[8.2.2.0(2,9).0(3,8)]-TETRADECA-5,13-DIENE-12-DITHIO-CARBOXYLIC-ACID,METHYLESTER
CAS Registry Number 102870-20-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20S8
InChI InChI=1S/C16H20S8/c1-18-13-14(19-2)23-12-10-8-6-5-7(9(10)11(12)22-13)16(21-4,24-8)15(17)20-3/h5-12H,1-4H3/t7-,8+,9-,10+,11+,12-,16+/m1/s1
InChIKey FWCFRIBLKRTRBF-HTZJPKFTSA-N
Literature Reference Author T.GILLMANN,K.HARTKE
Literature Reference Citation CHEM.BER.,119,2859(1986)
Literature Reference DOI 10.1002/cber.19861190916
Molecular Weight 468.815 g/mol
Solvent CDCl3
Source File Reference UWGB1148