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1,4-Bis(trifluoroacetyl)-3-(3-methylpropyl)-2,5-diketopiperazine
SpectraBase Compound ID 60lIeFSuAVl
InChI InChI=1S/C12H12F6N2O4/c1-5(2)3-6-8(22)19(9(23)11(13,14)15)4-7(21)20(6)10(24)12(16,17)18/h5-6H,3-4H2,1-2H3
InChIKey WEPUZEURRXDXSZ-UHFFFAOYSA-N
Mol Weight 362.23 g/mol
Molecular Formula C12H12F6N2O4
Exact Mass 362.070126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZG11e6vSOF
Name 1,4-Bis(trifluoroacetyl)-3-(3-methylpropyl)-2,5-diketopiperazine
Comments Structure changed after expert review
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F6N2O4
InChI InChI=1S/C12H12F6N2O4/c1-5(2)3-6-8(22)19(9(23)11(13,14)15)4-7(21)20(6)10(24)12(16,17)18/h5-6H,3-4H2,1-2H3
InChIKey WEPUZEURRXDXSZ-UHFFFAOYSA-N
Molecular Weight 362.228 g/mol
SMILES CC(C)CC1N(C(=O)CN(C1=O)C(C(F)(F)F)=O)C(C(F)(F)F)=O
SPLASH splash10-05r0-8902000000-d3d27cef2ef1ca747d6f
Source of Spectrum I-57-2039-0
Synonyms 3-Isobutyl-1,4-bis(trifluoroacetyl)-2,5-piperazinedione 3-(2-Methylpropyl)-1,4-bis(trifluoroacetyl)piperazine-2,5-dione 3-(2-Methylpropyl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
Wiley ID 1349222