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4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-2-[(2-pyridyl)thio]acetophenone

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

4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-2-[(2-pyridyl)thio]acetophenone
SpectraBase Compound ID Kk6almbQfHe
InChI InChI=1S/C19H21N3O5S/c1-11-15(13(23)10-28-14-8-6-7-9-20-14)12(2)18(22(26)27)16(19(3,4)5)17(11)21(24)25/h6-9H,10H2,1-5H3
InChIKey DTIPKLWZGDKXDT-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C19H21N3O5S
Exact Mass 403.120192 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9BZcSZNuP3a
Name 4'-tert-BUTYL-2',6'-DIMETHYL-3',5'-DINITRO-2-[(2-PYRIDYL)THIO]ACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O5S
InChI InChI=1S/C19H21N3O5S/c1-11-15(13(23)10-28-14-8-6-7-9-20-14)12(2)18(22(26)27)16(19(3,4)5)17(11)21(24)25/h6-9H,10H2,1-5H3
InChIKey DTIPKLWZGDKXDT-UHFFFAOYSA-N
Melting Point 144-145C
Molecular Weight 403.46
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETOPHENONE, 4'-tert-BUTYL- 2',6'-DIMETHYL-3',5'-DINITRO- 2-//2-PYRIDYL/THIO/-,