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Piperazine, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(2-thienylcarbonyl)-
SpectraBase Compound ID BWMke25uQBR
InChI InChI=1S/C16H13F3N4O5S/c17-16(18,19)10-8-11(22(25)26)14(12(9-10)23(27)28)20-3-5-21(6-4-20)15(24)13-2-1-7-29-13/h1-2,7-9H,3-6H2
InChIKey DTNZONMKJPDEDC-UHFFFAOYSA-N
Mol Weight 430.36 g/mol
Molecular Formula C16H13F3N4O5S
Exact Mass 430.055875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iH3Rh8bPwE
Name Piperazine, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(2-thienylcarbonyl)-
Alternate Name(s) [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-thiophen-2-ylmethanone [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-thienyl)methanone [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone
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Formula C16H13F3N4O5S
InChI InChI=1S/C16H13F3N4O5S/c17-16(18,19)10-8-11(22(25)26)14(12(9-10)23(27)28)20-3-5-21(6-4-20)15(24)13-2-1-7-29-13/h1-2,7-9H,3-6H2
InChIKey DTNZONMKJPDEDC-UHFFFAOYSA-N
Molecular Weight 430.358 g/mol
SMILES c1(c(c(N(=O)=O)cc(C(F)(F)F)c1)N1CCN(C(c2sccc2)=O)CC1)N(=O)=O
SPLASH splash10-03di-4910000000-ff88e68f7cfb8f3b6c7d
Source of Spectrum IY-1-4650-3
Wiley ID 1654486