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2-(tert-butylsulfonyl)-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]acrylonitrile

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

2-(tert-butylsulfonyl)-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]acrylonitrile
SpectraBase Compound ID GDwU7Mh1NY9
InChI InChI=1S/C12H15ClN4O2S/c1-8-5-10(13)17-11(16-8)15-7-9(6-14)20(18,19)12(2,3)4/h5,7H,1-4H3,(H,15,16,17)
InChIKey KUETYLUYICMTII-UHFFFAOYSA-N
Mol Weight 314.79 g/mol
Molecular Formula C12H15ClN4O2S
Exact Mass 314.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EF97qd2r1Uw
Name 2-(tert-BUTYLSULFONYL)-3-[(4-CHLORO-6-METHYL-2-PYRIMIDINYL)AMINO]ACRYLONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClN4O2S
InChI InChI=1S/C12H15ClN4O2S/c1-8-5-10(13)17-11(16-8)15-7-9(6-14)20(18,19)12(2,3)4/h5,7H,1-4H3,(H,15,16,17)
InChIKey KUETYLUYICMTII-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 156-158C
Molecular Weight 314.80
Solvent CDCl3; Reference=TMS; Temperature 297K