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7-(N,N-Bis(methylsulfonyl)amino)-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID EBqb70qieyY
InChI InChI=1S/C13H15F3N2O5S2/c1-24(20,21)18(25(2,22)23)11-4-3-9-5-6-17(8-10(9)7-11)12(19)13(14,15)16/h3-4,7H,5-6,8H2,1-2H3
InChIKey SSDHLQBLXHGMSN-UHFFFAOYSA-N
Mol Weight 400.39 g/mol
Molecular Formula C13H15F3N2O5S2
Exact Mass 400.037448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR6kLneaymt
Name 7-(N,N-Bis(methylsulfonyl)amino)-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3N2O5S2
InChI InChI=1S/C13H15F3N2O5S2/c1-24(20,21)18(25(2,22)23)11-4-3-9-5-6-17(8-10(9)7-11)12(19)13(14,15)16/h3-4,7H,5-6,8H2,1-2H3
InChIKey SSDHLQBLXHGMSN-UHFFFAOYSA-N
Molecular Weight 400.387 g/mol
SMILES C1N(CCc2ccc(cc12)N(S(=O)(=O)C)S(=O)(=O)C)C(=O)C(F)(F)F
SPLASH splash10-000y-9160100000-bdec8a0bc2c2207e4de6
Source of Spectrum F2-40-4002-15
Synonyms N-(methylsulfonyl)-N-[2-(trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]methanesulfonamide
Wiley ID 1599436