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(1S,4S)-Dimethyl 4-tosyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
SpectraBase Compound ID J2nkbxDkRRl
InChI InChI=1S/C16H15F3O6S/c1-8-4-6-9(7-5-8)26(22,23)13-11(15(21)25-3)10(14(20)24-2)12(13)16(17,18)19/h4-7,11,13H,1-3H3/t11-,13+/m1/s1
InChIKey OJQWHRCVDTYNJB-YPMHNXCESA-N
Mol Weight 392.35 g/mol
Molecular Formula C16H15F3O6S
Exact Mass 392.054144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID M8VYI6MG2o
Name (1S,4S)-Dimethyl 4-tosyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15F3O6S
InChI InChI=1S/C16H15F3O6S/c1-8-4-6-9(7-5-8)26(22,23)13-11(15(21)25-3)10(14(20)24-2)12(13)16(17,18)19/h4-7,11,13H,1-3H3/t11-,13+/m1/s1
InChIKey OJQWHRCVDTYNJB-YPMHNXCESA-N
Literature Reference DOI 10.1002/hc.21101
Molecular Weight 392.345 g/mol
SMILES C=1([C@]([C@@](C1C(OC)=O)(C(=O)OC)[H])(S(c1ccc(cc1)C)(=O)=O)[H])C(F)(F)F
SPLASH splash10-000i-1190000000-09adc088ceb34e11fb76
Source of Spectrum HAC-24-439-4a
Synonyms (1S,4S)-4-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylic acid dimethyl ester Dimethyl (1S,4S)-4-(p-tolylsulfonyl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate Dimethyl (1S,4S)-4-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
Wiley ID 1776230