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1-(2,6-Dinitro-4-trifluoromethyl-phenyl)-4-methanesulfonyl-piperazine
SpectraBase Compound ID 5VmAPmgcNve
InChI InChI=1S/C12H13F3N4O6S/c1-26(24,25)17-4-2-16(3-5-17)11-9(18(20)21)6-8(12(13,14)15)7-10(11)19(22)23/h6-7H,2-5H2,1H3
InChIKey JRQQXOSKDPAGRG-UHFFFAOYSA-N
Mol Weight 398.31 g/mol
Molecular Formula C12H13F3N4O6S
Exact Mass 398.05079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A59oNNOOOy4
Name 1-(2,6-Dinitro-4-trifluoromethyl-phenyl)-4-methanesulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3N4O6S
InChI InChI=1S/C12H13F3N4O6S/c1-26(24,25)17-4-2-16(3-5-17)11-9(18(20)21)6-8(12(13,14)15)7-10(11)19(22)23/h6-7H,2-5H2,1H3
InChIKey JRQQXOSKDPAGRG-UHFFFAOYSA-N
Molecular Weight 398.313 g/mol
SMILES c1(c(c(N(=O)=O)cc(C(F)(F)F)c1)N1CCN(S(=O)(=O)C)CC1)N(=O)=O
SPLASH splash10-0a4i-9630000000-0b32f07559ab4ad11f63
Synonyms 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-mesyl-piperazine 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-piperazine
Wiley ID 1463592