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2-METHYL-5,6,7,8-TETRAKIS(TRIFLUOROMETHYL)-5,6-DIHYDRO-DELTA2-1,3,4-OXADIAZOLINO[2,3-A]AZEPINE
SpectraBase Compound ID Koeer4K9C9Q
InChI InChI=1S/C12H6F12N2O/c1-3-25-26-5(27-3)2-4(9(13,14)15)6(10(16,17)18)7(11(19,20)21)8(26)12(22,23)24/h2,7-8H,1H3/t7-,8-/m0/s1
InChIKey KUETXGOTMLZCOY-YUMQZZPRSA-N
Mol Weight 422.17 g/mol
Molecular Formula C12H6F12N2O
Exact Mass 422.028851 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DcKblw7uPjU
Name 2-METHYL-5,6,7,8-TETRAKIS(TRIFLUOROMETHYL)-5,6-DIHYDRO-DELTA2-1,3,4-OXADIAZOLINO[2,3-A]AZEPINE
Comments ALL PEAKS WERE ASSIGNED (S.T.). SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H6F12N2O
InChI InChI=1S/C12H6F12N2O/c1-3-25-26-5(27-3)2-4(9(13,14)15)6(10(16,17)18)7(11(19,20)21)8(26)12(22,23)24/h2,7-8H,1H3/t7-,8-/m0/s1
InChIKey KUETXGOTMLZCOY-YUMQZZPRSA-N
Instrument Name Bruker CXP-200
Literature Reference V.M.KOSHELEV, A.N.CHEKHLOV, N.V.VASIL'EV, A.F.GONTAR, I.V.MARTYNOV (1989)Izv.Akad.Nauk SSSR(Russ. Lang.): N3, 744-745.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d