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3-(fluoranylmethyl)-7-methylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
SpectraBase Compound ID 6qVNT8OIp8
InChI InChI=1S/C11H12FNO3S/c1-17(15,16)9-3-2-7-4-8(6-12)13-11(14)10(7)5-9/h2-3,5,8H,4,6H2,1H3,(H,13,14)
InChIKey SZFPIVOEBRFQSO-UHFFFAOYSA-N
Mol Weight 257.28 g/mol
Molecular Formula C11H12FNO3S
Exact Mass 257.052193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFV9HjqzfA1
Name 3-(fluoranylmethyl)-7-methylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FNO3S
InChI InChI=1S/C11H12FNO3S/c1-17(15,16)9-3-2-7-4-8(6-12)13-11(14)10(7)5-9/h2-3,5,8H,4,6H2,1H3,(H,13,14)
InChIKey SZFPIVOEBRFQSO-UHFFFAOYSA-N
Molecular Weight 257.279 g/mol
SMILES N1C(Cc2c(C1=O)cc(cc2)S(=O)(=O)C)CF
SPLASH splash10-0aba-0290000000-be21f790a93e4b1fec7b
Source of Spectrum F2-42-3595-32
Synonyms 3-(fluoromethyl)-7-mesyl-3,4-dihydroisocarbostyril 3-(fluoromethyl)-7-methylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
Wiley ID 1600400