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1-(2,6-dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)hexahydro-3,3,5-trimethyl-1H-azepine
SpectraBase Compound ID Ke8JTTntp4h
InChI InChI=1S/C16H20F3N3O4/c1-10-4-5-20(9-15(2,3)8-10)14-12(21(23)24)6-11(16(17,18)19)7-13(14)22(25)26/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey DNLYKRBIDIHFQR-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C16H20F3N3O4
Exact Mass 375.140591 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID L0iFCKz1Fy6
Name 1-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)HEXAHYDRO-3,3,5-TRIMETHYL-1H-AZEPINE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number BTB 2868
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20F3N3O4
InChI InChI=1S/C16H20F3N3O4/c1-10-4-5-20(9-15(2,3)8-10)14-12(21(23)24)6-11(16(17,18)19)7-13(14)22(25)26/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey DNLYKRBIDIHFQR-UHFFFAOYSA-N
Melting Point 89-90C
Molecular Weight 375.352997
Synonyms 1H-AZEPINE, 1-/2,6-DINITRO-A,A,A-TRI- FLUORO-P-TOLYL/HEXAHYDRO-3,3,5-TRI- METHYL-,
Technique FILM (CAST FROM CHCl3)