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3-(2,6-dinitro-alpha,alpha,alpha-trifluoro-p-toluidino)hexahydro-2H-azepin-2-one

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(2,6-dinitro-alpha,alpha,alpha-trifluoro-p-toluidino)hexahydro-2H-azepin-2-one
SpectraBase Compound ID Ax1L0QlJwwF
InChI InChI=1S/C13H13F3N4O5/c14-13(15,16)7-5-9(19(22)23)11(10(6-7)20(24)25)18-8-3-1-2-4-17-12(8)21/h5-6,8,18H,1-4H2,(H,17,21)
InChIKey HHYZNTQFJBNUSS-UHFFFAOYSA-N
Mol Weight 362.27 g/mol
Molecular Formula C13H13F3N4O5
Exact Mass 362.083804 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FxMTLsyd2TP
Name 3-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINO)HEXAHYDRO-2H-AZEPIN-2-ONE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N4O5
InChI InChI=1S/C13H13F3N4O5/c14-13(15,16)7-5-9(19(22)23)11(10(6-7)20(24)25)18-8-3-1-2-4-17-12(8)21/h5-6,8,18H,1-4H2,(H,17,21)
InChIKey HHYZNTQFJBNUSS-UHFFFAOYSA-N
Melting Point 160-162C
Molecular Weight 362.27
Technique KBr WAFER