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1-Pentanone, 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-, O-methyloxime, mononitrate

View entire compound with spectra: 1 FTIR

1-Pentanone, 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-, O-methyloxime, mononitrate
SpectraBase Compound ID 9O0GwQXksXu
InChI InChI=1S/C16H20Cl2N4O.NO3/c1-16(2,3)8-14(22-10-19-9-20-22)15(21-23-4)12-6-5-11(17)7-13(12)18;2-1(3)4/h5-7,9-10,14H,8H2,1-4H3;/q;-1/p+1/b21-15+;
InChIKey DUNSRTBNLOXGMO-NEMIEIFKSA-O
Mol Weight 418.281 g/mol
Molecular Formula C16H21Cl2N5O4
Exact Mass 417.09706 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9iHROGztMSC
Name 1-Pentanone, 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-, O-methyloxime, mononitrate
CAS Registry Number 90477-61-5
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21Cl2N5O4
InChI InChI=1S/C16H20Cl2N4O.NO3/c1-16(2,3)8-14(22-10-19-9-20-22)15(21-23-4)12-6-5-11(17)7-13(12)18;2-1(3)4/h5-7,9-10,14H,8H2,1-4H3;/q;-1/p+1/b21-15+;
InChIKey DUNSRTBNLOXGMO-NEMIEIFKSA-O
Instrument Name Bruker IFS 112
Technique KBr-Pellet