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6-(benzenesulfonyl)-8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID KFKuDqTN21S
InChI InChI=1S/C20H18FNO3S/c21-15-6-4-5-14(11-15)13-22-17-9-10-19(23)18(22)12-20(17)26(24,25)16-7-2-1-3-8-16/h1-11,17-18,20H,12-13H2/t17-,18-,20?/m1/s1
InChIKey BMCMRLWGMCWDOZ-KUBVQFIISA-N
Mol Weight 371.43 g/mol
Molecular Formula C20H18FNO3S
Exact Mass 371.099143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tnS7xVEpKV
Name 6-(benzenesulfonyl)-8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18FNO3S
InChI InChI=1S/C20H18FNO3S/c21-15-6-4-5-14(11-15)13-22-17-9-10-19(23)18(22)12-20(17)26(24,25)16-7-2-1-3-8-16/h1-11,17-18,20H,12-13H2/t17-,18-,20?/m1/s1
InChIKey BMCMRLWGMCWDOZ-KUBVQFIISA-N
Molecular Weight 371.426 g/mol
SMILES [C@]12(N([C@](CC2S(=O)(=O)c2ccccc2)(C(C=C1)=O)[H])Cc1cc(ccc1)F)[H]
SPLASH splash10-0a4i-6910000000-04758d0bd8c9721507ab
Synonyms 6-besyl-8-(3-fluorobenzyl)-8-azabicyclo[3.2.1]oct-3-en-2-one 8-[(3-fluorophenyl)methyl]-6-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one Bicyclo[3.2.1]oct-3-en-2-one, 6-benzenesulfonyl-8-(3-fluorobenzyl)-8-aza-
Wiley ID 1447539