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1,4-Bis(trifluoroacetyl)-3-(2-methylethyl)-2,5-diketopiperazine
SpectraBase Compound ID 6mRkFcH1Gif
InChI InChI=1S/C11H10F6N2O4/c1-4(2)6-7(21)18(8(22)10(12,13)14)3-5(20)19(6)9(23)11(15,16)17/h4,6H,3H2,1-2H3/t6-/m0/s1
InChIKey YNKJGXZUQWYGOJ-LURJTMIESA-N
Mol Weight 348.2 g/mol
Molecular Formula C11H10F6N2O4
Exact Mass 348.054476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AY7kQ3PtYk
Name 1,4-Bis(trifluoroacetyl)-3-(2-methylethyl)-2,5-diketopiperazine
Alternate Name(s) 3-Isopropyl-1,4-bis(trifluoroacetyl)-2,5-piperazinedione
CAS Registry Number 71598-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10F6N2O4
InChI InChI=1S/C11H10F6N2O4/c1-4(2)6-7(21)18(8(22)10(12,13)14)3-5(20)19(6)9(23)11(15,16)17/h4,6H,3H2,1-2H3/t6-/m0/s1
InChIKey YNKJGXZUQWYGOJ-LURJTMIESA-N
Molecular Weight 348.201 g/mol
SMILES C1(N([C@](C(N(C1)C(C(F)(F)F)=O)=O)(C(C)C)[H])C(C(F)(F)F)=O)=O
SPLASH splash10-056u-9703000000-cc9fc9e3383cca3d351d
Source of Spectrum I-57-2039-0
Wiley ID 1340225