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Dimethyl 1,2,3,3a,6,7,8,10a-octahydro-7-phenylthio-1,3-6,8-ethanediylidene-cyclopentacyclononene-4,10-dicarboxylate
SpectraBase Compound ID 7wNX6HCLSAk
InChI InChI=1S/C24H24O4S/c1-27-23(25)14-9-11-8-12-10-15(24(26)28-2)18-17(14)20-19(16(11)12)21(18)22(20)29-13-6-4-3-5-7-13/h3-7,9-12,16-22H,8H2,1-2H3
InChIKey XDVGAWSXNAFFBJ-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C24H24O4S
Exact Mass 408.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Etow4O0Xls
Name Dimethyl 1,2,3,3a,6,7,8,10a-octahydro-7-phenylthio-1,3-6,8-ethanediylidene-cyclopentacyclononene-4,10-dicarboxylate
CAS Registry Number 113627-86-4
Comments (1A,2B,3A,3AB,6A,8A,10AB)-CONFIGURATION
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C24H24O4S
InChI InChI=1S/C24H24O4S/c1-27-23(25)14-9-11-8-12-10-15(24(26)28-2)18-17(14)20-19(16(11)12)21(18)22(20)29-13-6-4-3-5-7-13/h3-7,9-12,16-22H,8H2,1-2H3
InChIKey XDVGAWSXNAFFBJ-UHFFFAOYSA-N
Literature Reference M. Christl, S. Freund, H. Henneberger, J. Am. Chem. Soc. 110, 3263 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3