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(E/Z)-3-((2,4-difluorophenyl)(triethylsilyl)methylene)-1-((4-methoxyphenyl)sulfonyl)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrole
SpectraBase Compound ID EGYPF6nQSPG
InChI InChI=1S/C27H33F2NO3SSi/c1-5-35(6-2,7-3)27(23-16-11-19(28)17-25(23)29)24-18-30(26-10-8-9-22(24)26)34(31,32)21-14-12-20(33-4)13-15-21/h9,11-17,26H,5-8,10,18H2,1-4H3
InChIKey PTACQDKYJSROLW-UHFFFAOYSA-N
Mol Weight 517.7 g/mol
Molecular Formula C27H33F2NO3SSi
Exact Mass 517.191848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KTJ4NTHI1s
Name (E/Z)-3-((2,4-difluorophenyl)(triethylsilyl)methylene)-1-((4-methoxyphenyl)sulfonyl)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrole
Appearance Yellow crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 517.191847959 u
Formula C27H33F2NO3SSi
InChI InChI=1S/C27H33F2NO3SSi/c1-5-35(6-2,7-3)27(23-16-11-19(28)17-25(23)29)24-18-30(26-10-8-9-22(24)26)34(31,32)21-14-12-20(33-4)13-15-21/h9,11-17,26H,5-8,10,18H2,1-4H3
InChIKey PTACQDKYJSROLW-UHFFFAOYSA-N
Instrument Name LTQ Orbitrap XL or Shimadzu QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802493
Molecular Weight 517.707 g/mol
Reported Formula C27H33F2NO3SSi
SMILES CC[Si](CC)(CC)C(=C1CN(S(C=2C=CC(=CC2)OC)(=O)=O)C2C1=CCC2)C1=CC=C(C=C1F)F
SPLASH splash10-014i-0020090000-cc869ac2f9dc1726c280
Sample Comments Mixture of E/Z
Source of Spectrum QE-24-SM20-5f (DOI: 10.1002/chem.201802493)
Wiley ID 1901611