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2-[(Trifluoroacetyl)amino]-2-methyl-N-(4'-nitrooxycyclohexyl)-propionylamide
SpectraBase Compound ID IE91sRFxAt4
InChI InChI=1S/C12H18F3N3O5/c1-11(2,17-10(20)12(13,14)15)9(19)16-7-3-5-8(6-4-7)23-18(21)22/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,20)
InChIKey DWTIBYWRCCLIDG-UHFFFAOYSA-N
Mol Weight 341.29 g/mol
Molecular Formula C12H18F3N3O5
Exact Mass 341.119855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81YsySYauyt
Name 2-[(Trifluoroacetyl)amino]-2-methyl-N-(4'-nitrooxycyclohexyl)-propionylamide
Alternate Name(s) 4-({2-methyl-2-[(trifluoroacetyl)amino]propanoyl}amino)cyclohexyl nitrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18F3N3O5
InChI InChI=1S/C12H18F3N3O5/c1-11(2,17-10(20)12(13,14)15)9(19)16-7-3-5-8(6-4-7)23-18(21)22/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,20)
InChIKey DWTIBYWRCCLIDG-UHFFFAOYSA-N
Molecular Weight 341.287 g/mol
SMILES N(C(C(NC(C(F)(F)F)=O)(C)C)=O)C1CCC(ON(=O)=O)CC1
SPLASH splash10-0a4i-3900000000-182080076584b11ce83f
Source of Spectrum D8-325-731-1
Wiley ID 1514545