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N,N'-bis(Trifluoroacetyl)-1,10-diaza[2.2]metacyclo[2]-(2,6)-pyridinophane

View entire compound with spectra: 1 MS (GC)

N,N'-bis(Trifluoroacetyl)-1,10-diaza[2.2]metacyclo[2]-(2,6)-pyridinophane
SpectraBase Compound ID AQdo1WzjPuM
InChI InChI=1S/C17H11F6N3O2/c18-16(19,20)14(27)25-8-10-3-1-4-11(24-10)9-26(15(28)17(21,22)23)13-6-2-5-12(25)7-13/h1-7H,8-9H2
InChIKey PDEYBUKYWJWWOT-UHFFFAOYSA-N
Mol Weight 403.28 g/mol
Molecular Formula C17H11F6N3O2
Exact Mass 403.075546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76tsWKRiCNv
Name N,N'-bis(Trifluoroacetyl)-1,10-diaza[2.2]metacyclo[2]-(2,6)-pyridinophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F6N3O2
InChI InChI=1S/C17H11F6N3O2/c18-16(19,20)14(27)25-8-10-3-1-4-11(24-10)9-26(15(28)17(21,22)23)13-6-2-5-12(25)7-13/h1-7H,8-9H2
InChIKey PDEYBUKYWJWWOT-UHFFFAOYSA-N
Molecular Weight 403.284 g/mol
SMILES C(N1c2cc(N(C(C(F)(F)F)=O)Cc3nc(C1)ccc3)ccc2)(C(F)(F)F)=O
SPLASH splash10-0ue9-0409300000-d15ce594b954f2bef76c
Source of Spectrum U1-1998-1476-5
Wiley ID 751439