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(E/Z)-1-((4-Methoxyphenyl)sulfonyl)-3-((triethylsilyl)(4-(trifluoromethyl)phenyl)methylene)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrole
SpectraBase Compound ID GYCPldPD1eP
InChI InChI=1S/C28H34F3NO3SSi/c1-5-37(6-2,7-3)27(20-11-13-21(14-12-20)28(29,30)31)25-19-32(26-10-8-9-24(25)26)36(33,34)23-17-15-22(35-4)16-18-23/h9,11-18,26H,5-8,10,19H2,1-4H3
InChIKey MQPMINMMQQNTPH-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C28H34F3NO3SSi
Exact Mass 549.198076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ucdU0maOW
Name (E/Z)-1-((4-Methoxyphenyl)sulfonyl)-3-((triethylsilyl)(4-(trifluoromethyl)phenyl)methylene)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrole
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.198076154 u
Formula C28H34F3NO3SSi
InChI InChI=1S/C28H34F3NO3SSi/c1-5-37(6-2,7-3)27(20-11-13-21(14-12-20)28(29,30)31)25-19-32(26-10-8-9-24(25)26)36(33,34)23-17-15-22(35-4)16-18-23/h9,11-18,26H,5-8,10,19H2,1-4H3
InChIKey MQPMINMMQQNTPH-UHFFFAOYSA-N
Instrument Name LTQ Orbitrap XL or Shimadzu QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802493
Molecular Weight 549.724 g/mol
Quality 114
Reported Formula C28H34F3NO3SSi
SMILES CC[Si](CC)(CC)C(=C1CN(S(C=2C=CC(=CC2)OC)(=O)=O)C2C1=CCC2)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-02dv-3756090000-78ea4243c9726af3e2dd
Sample Comments Mixture of E/Z
Source of Spectrum QE-24-SM20-5e (DOI: 10.1002/chem.201802493)
Wiley ID 1901610