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3-{[4-methyl-6-(methylthio)-s-triazin-2-yl]amino}-2-(methylsulfonyl)acrylonitrile
SpectraBase Compound ID BEevdUvHUBI
InChI InChI=1S/C9H11N5O2S2/c1-6-12-8(14-9(13-6)17-2)11-5-7(4-10)18(3,15)16/h5H,1-3H3,(H,11,12,13,14)
InChIKey AAGVMVOUSPLMDS-UHFFFAOYSA-N
Mol Weight 285.34 g/mol
Molecular Formula C9H11N5O2S2
Exact Mass 285.035417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LscNBDzak4u
Name 3-{[4-METHYL-6-(METHYLTHIO)-s-TRIAZIN-2-YL]AMINO}-2-(METHYLSULFONYL)ACRYLONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N5O2S2
InChI InChI=1S/C9H11N5O2S2/c1-6-12-8(14-9(13-6)17-2)11-5-7(4-10)18(3,15)16/h5H,1-3H3,(H,11,12,13,14)
InChIKey AAGVMVOUSPLMDS-UHFFFAOYSA-N
Melting Point 192-195C
Molecular Weight 285.35
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACRYLONITRILE, 3-//4-METHYL- 6-/METHYLTHIO/-S-TRIAZIN-2-YL/AMINO/- 2-/METHYLSULFONYL/-,