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4-Amino-6-benzyl-2-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
SpectraBase Compound ID 7zvBMmaFwW8
InChI InChI=1S/C11H12N4OS/c1-14-11(17)15(12)10(16)9(13-14)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChIKey LFZCNYNWXMIZDG-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C11H12N4OS
Exact Mass 248.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PMxhMhHr13
Name 4-Amino-6-benzyl-2-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
Appearance White crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4OS
InChI InChI=1S/C11H12N4OS/c1-14-11(17)15(12)10(16)9(13-14)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChIKey LFZCNYNWXMIZDG-UHFFFAOYSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3401
Molecular Weight 248.304 g/mol
SMILES NN1C(C(=NN(C1=S)C)Cc1ccccc1)=O
SPLASH splash10-006w-9240000000-ce3025c4159b62f9c122
Source of Spectrum Y-56-SM19-11a
Thin-Layer Chromatography Rf = 0.15 [pet. ether/ethyl acetate (4:1)]
Wiley ID 1859316