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(E/Z)-3-((3,5-Dichlorophenyl)(triethylsilyl)methylene)-1-((4-methoxyphenyl)sulfonyl)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrole
SpectraBase Compound ID 2IYaxZs2ECX
InChI InChI=1S/C27H33Cl2NO3SSi/c1-5-35(6-2,7-3)27(19-15-20(28)17-21(29)16-19)25-18-30(26-10-8-9-24(25)26)34(31,32)23-13-11-22(33-4)12-14-23/h9,11-17,26H,5-8,10,18H2,1-4H3
InChIKey CXWUVOAOHGFEIK-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C27H33Cl2NO3SSi
Exact Mass 549.132747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s8RdzmlFlE
Name (E/Z)-3-((3,5-Dichlorophenyl)(triethylsilyl)methylene)-1-((4-methoxyphenyl)sulfonyl)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrole
Appearance White crystalline solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.132747033 u
Formula C27H33Cl2NO3SSi
InChI InChI=1S/C27H33Cl2NO3SSi/c1-5-35(6-2,7-3)27(19-15-20(28)17-21(29)16-19)25-18-30(26-10-8-9-24(25)26)34(31,32)23-13-11-22(33-4)12-14-23/h9,11-17,26H,5-8,10,18H2,1-4H3
InChIKey CXWUVOAOHGFEIK-UHFFFAOYSA-N
Instrument Name LTQ Orbitrap XL or Shimadzu QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802493
Molecular Weight 550.616 g/mol
Quality 135
Reported Formula C27H33(35)Cl2NO3SSi
SMILES C1=C(C=C(C=C1Cl)Cl)C(=C1C=2C(N(C1)S(C1=CC=C(C=C1)OC)(=O)=O)CCC2)[Si](CC)(CC)CC
SPLASH splash10-0g3d-3916080000-587b4f19abd2f98dd572
Sample Comments Mixture of E/Z
Source of Spectrum QE-24-SM23-5j (DOI: 10.1002/chem.201802493)
Wiley ID 1901615