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11,11-bis(fluoranyl)-7-[(4-methylphenyl)sulfonylmethyl]-8-nitro-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID CC0JpkeavUQ
InChI InChI=1S/C19H15F2NO4S/c1-13-6-9-15(10-7-13)27(25,26)12-16-17-5-3-2-4-14(19(17,20)21)8-11-18(16)22(23)24/h2-11H,12H2,1H3
InChIKey BYNZHUYSKMZYPC-UHFFFAOYSA-N
Mol Weight 391.39 g/mol
Molecular Formula C19H15F2NO4S
Exact Mass 391.068985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9B6iiSEnK4q
Name 11,11-bis(fluoranyl)-7-[(4-methylphenyl)sulfonylmethyl]-8-nitro-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15F2NO4S
InChI InChI=1S/C19H15F2NO4S/c1-13-6-9-15(10-7-13)27(25,26)12-16-17-5-3-2-4-14(19(17,20)21)8-11-18(16)22(23)24/h2-11H,12H2,1H3
InChIKey BYNZHUYSKMZYPC-UHFFFAOYSA-N
Molecular Weight 391.389 g/mol
SMILES C1(=C2C(C(C=CC=C2)=CC=C1N(=O)=O)(F)F)CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000i-2910000000-7591ded25d65284892b1
Source of Spectrum AH-126-458-51
Synonyms 11,11-difluoro-7-[(4-methylphenyl)sulfonylmethyl]-8-nitrobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 11,11-difluoro-8-nitro-7-(p-tolylsulfonylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 11,11-difluoro-8-nitro-7-(tosylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Wiley ID 1365295