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2-Pyrrolidinone, 1-[4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]phenyl]-
SpectraBase Compound ID DjaJOOdffzu
InChI InChI=1S/C21H21F3N4O5S/c22-21(23,24)15-3-8-18(19(14-15)28(30)31)25-10-12-26(13-11-25)34(32,33)17-6-4-16(5-7-17)27-9-1-2-20(27)29/h3-8,14H,1-2,9-13H2
InChIKey LDTVJTOVPUFLCZ-UHFFFAOYSA-N
Mol Weight 498.48 g/mol
Molecular Formula C21H21F3N4O5S
Exact Mass 498.118475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VvOMsCvGOW
Name 2-Pyrrolidinone, 1-[4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]phenyl]-
Alternate Name(s) 1-[4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]phenyl]-2-pyrrolidinone 1-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3N4O5S
InChI InChI=1S/C21H21F3N4O5S/c22-21(23,24)15-3-8-18(19(14-15)28(30)31)25-10-12-26(13-11-25)34(32,33)17-6-4-16(5-7-17)27-9-1-2-20(27)29/h3-8,14H,1-2,9-13H2
InChIKey LDTVJTOVPUFLCZ-UHFFFAOYSA-N
Molecular Weight 498.477 g/mol
SMILES c1c(ccc(c1)N1CCCC1=O)S(=O)(=O)N1CCN(CC1)c1c(cc(cc1)C(F)(F)F)N(=O)=O
SPLASH splash10-0a4l-9520000000-f7ddeeed0c6f10e1f0e4
Source of Spectrum IY-1-4605-1
Wiley ID 1654034