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5'-(DIMETHYLAMINO)-3',4'-DIHYDROXY-2'-OXOSPIRO-[CYCLOHEPTAN-1,4'-[2H]-IMIDAZOLINUM]-TRIFLUOROACETAMIDATE
SpectraBase Compound ID EShzZnmGiJ3
InChI InChI=1S/C13H19F3N4O2/c1-19(2)10-12(7-5-3-4-6-8-12)17-11(22)20(10)18-9(21)13(14,15)16/h3-8H2,1-2H3,(H-,17,18,21,22)
InChIKey FRZCUNCAQLLFMF-UHFFFAOYSA-N
Mol Weight 320.32 g/mol
Molecular Formula C13H19F3N4O2
Exact Mass 320.14601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jnqOhSuGDN
Name 1,3-Diazaspiro[4.6]undecane, 1-aza-3-azoniaspiro[4.6]undec-3-ene deriv.
CAS Registry Number 128945-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19F3N4O2
InChI InChI=1S/C13H19F3N4O2/c1-19(2)10-12(7-5-3-4-6-8-12)17-11(22)20(10)18-9(21)13(14,15)16/h3-8H2,1-2H3,(H-,17,18,21,22)
InChIKey FRZCUNCAQLLFMF-UHFFFAOYSA-N
Molecular Weight 320.316 g/mol
SMILES N([N+]=1C([N-]C2(C1N(C)C)CCCCCC2)=O)C(C(F)(F)F)=O
SPLASH splash10-00or-0890000000-ead76c1e1e73fe047e84
Source of Spectrum H-73-502-3
Synonyms 1-Aza-3-azoniaspiro[4.6]undec-3-ene, 4-(dimethylamino)-2-oxo-3-[(trifluoroacetyl)amino]-, hydroxide, inner salt 4-(dimethylamino)-2-oxo-3-(2,2,2-trifluoroacetamido)-1,3-diazaspiro[4.6]undec-3-en-3-ium-1-ide 5'-(dimethylamino)-3',4'-dihydro-2'-pxpspiro[cycloheptane-1,4'-[2H]imidazolium]-trifluoroacetamidate
Wiley ID 1319741