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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 3SN3IcGfSTg
InChI InChI=1S/C24H24O4S/c1-27-23(25)16-9-14-21-15(22(14)29-11-6-4-3-5-7-11)10-17(24(26)28-2)20-13-8-12(18(13)21)19(16)20/h3-7,9-10,12-15,18-22H,8H2,1-2H3
InChIKey XFLBHAARBKYEHW-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 IIchQUDzxFD
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 113627-85-3
Comments (1A,3A,3AB,6A,7B,8A,10AB)-CONFIGURATION
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C24H24O4S
InChI InChI=1S/C24H24O4S/c1-27-23(25)16-9-14-21-15(22(14)29-11-6-4-3-5-7-11)10-17(24(26)28-2)20-13-8-12(18(13)21)19(16)20/h3-7,9-10,12-15,18-22H,8H2,1-2H3
InChIKey XFLBHAARBKYEHW-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