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7-(N-(Methylsulfonyl)amino}-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 7ivct1qDL3v
InChI InChI=1S/C12H13F3N2O3S/c1-21(19,20)16-10-3-2-8-4-5-17(7-9(8)6-10)11(18)12(13,14)15/h2-3,6,16H,4-5,7H2,1H3
InChIKey RTOZAYWINFJYJK-UHFFFAOYSA-N
Mol Weight 322.3 g/mol
Molecular Formula C12H13F3N2O3S
Exact Mass 322.059898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5ISj6e1daM
Name 7-(N-(Methylsulfonyl)amino}-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3N2O3S
InChI InChI=1S/C12H13F3N2O3S/c1-21(19,20)16-10-3-2-8-4-5-17(7-9(8)6-10)11(18)12(13,14)15/h2-3,6,16H,4-5,7H2,1H3
InChIKey RTOZAYWINFJYJK-UHFFFAOYSA-N
Molecular Weight 322.302 g/mol
SMILES N(S(=O)(=O)C)c1cc2CN(C(C(F)(F)F)=O)CCc2cc1
SPLASH splash10-000x-9833000000-0787a3fecb1a2196f9fe
Source of Spectrum F2-40-4001-14
Synonyms N-[2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]methanesulfonamide
Wiley ID 1599438