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6-Methyl-7-[(trifluoromethyl)sulfonyloxy]-N-tosyl-2,3-dihydro-1H-isoindole
SpectraBase Compound ID 98Nls3oGgZU
InChI InChI=1S/C17H16F3NO5S2/c1-11-3-7-14(8-4-11)27(22,23)21-9-13-6-5-12(2)16(15(13)10-21)26-28(24,25)17(18,19)20/h3-8H,9-10H2,1-2H3
InChIKey XBKYAIBOJXECTF-UHFFFAOYSA-N
Mol Weight 435.43 g/mol
Molecular Formula C17H16F3NO5S2
Exact Mass 435.042199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6daUHQvMEx8
Name 6-Methyl-7-[(trifluoromethyl)sulfonyloxy]-N-tosyl-2,3-dihydro-1H-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3NO5S2
InChI InChI=1S/C17H16F3NO5S2/c1-11-3-7-14(8-4-11)27(22,23)21-9-13-6-5-12(2)16(15(13)10-21)26-28(24,25)17(18,19)20/h3-8H,9-10H2,1-2H3
InChIKey XBKYAIBOJXECTF-UHFFFAOYSA-N
Molecular Weight 435.432 g/mol
SMILES C1N(Cc2ccc(c(c12)OS(=O)(=O)C(F)(F)F)C)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-001j-3490200000-d56c805e621bf4df3094
Source of Spectrum QE-12-5813-26
Synonyms 5-Methyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-isoindol-4-yl trifluoromethanesulfonate
Wiley ID 1587157