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1,4-Bis(trifluoroacetyl)-3,6-bis(1-methylpropyl)-2,5-diketopiperazine
SpectraBase Compound ID Acc1g0HFoHg
InChI InChI=1S/C16H20F6N2O4/c1-5-7(3)9-11(25)24(14(28)16(20,21)22)10(8(4)6-2)12(26)23(9)13(27)15(17,18)19/h7-10H,5-6H2,1-4H3/t7?,8?,9-,10+
InChIKey QWMZTZRIQOEREC-OXYCZDQYSA-N
Mol Weight 418.34 g/mol
Molecular Formula C16H20F6N2O4
Exact Mass 418.132726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42HhgjxRC9p
Name 1,4-Bis(trifluoroacetyl)-3,6-bis(1-methylpropyl)-2,5-diketopiperazine
Alternate Name(s) 3,6-Disec-butyl-1,4-bis(trifluoroacetyl)-2,5-piperazinedione
CAS Registry Number 71599-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20F6N2O4
InChI InChI=1S/C16H20F6N2O4/c1-5-7(3)9-11(25)24(14(28)16(20,21)22)10(8(4)6-2)12(26)23(9)13(27)15(17,18)19/h7-10H,5-6H2,1-4H3/t7?,8?,9-,10+
InChIKey QWMZTZRIQOEREC-OXYCZDQYSA-N
Molecular Weight 418.336 g/mol
SMILES C1(N([C@@](C(N([C@]1(C(CC)C)[H])C(C(F)(F)F)=O)=O)(C(CC)C)[H])C(C(F)(F)F)=O)=O
SPLASH splash10-014i-9600000000-bf08b82f5aeffa24a3f2
Source of Spectrum I-57-2055-0
Wiley ID 1377011