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1-besyl-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID EC1Y97vyE05
InChI InChI=1S/C18H18F3N3O4S/c1-13-12-22(9-10-23(13)29(27,28)15-5-3-2-4-6-15)16-8-7-14(18(19,20)21)11-17(16)24(25)26/h2-8,11,13H,9-10,12H2,1H3
InChIKey KDSLHSIESFHIOO-UHFFFAOYSA-N
Mol Weight 429.41 g/mol
Molecular Formula C18H18F3N3O4S
Exact Mass 429.097012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWEV6tuXxPq
Name 1-besyl-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F3N3O4S
InChI InChI=1S/C18H18F3N3O4S/c1-13-12-22(9-10-23(13)29(27,28)15-5-3-2-4-6-15)16-8-7-14(18(19,20)21)11-17(16)24(25)26/h2-8,11,13H,9-10,12H2,1H3
InChIKey KDSLHSIESFHIOO-UHFFFAOYSA-N
Molecular Weight 429.414 g/mol
SMILES c1ccc(S(N2C(CN(CC2)c2c(N(=O)=O)cc(C(F)(F)F)cc2)C)(=O)=O)cc1
SPLASH splash10-00bc-9420000000-c16bc214d3ab0fc3c4cf
Synonyms 2-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylsulfonyl)piperazine
Wiley ID 1464418