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7-amino-3-benzyl-4H,8H-1,2,4-triazino[3,4-b]1,3,4-thiadiazin-4-one
SpectraBase Compound ID KMqyYHQnma8
InChI InChI=1S/C12H11N5OS/c13-10-7-19-12-15-14-9(11(18)17(12)16-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,16)
InChIKey UYRYKNJBMXTDOQ-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C12H11N5OS
Exact Mass 273.068431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vmz7KfKUl9
Name 7-amino-3-benzyl-4H,8H-1,2,4-triazino[3,4-b]1,3,4-thiadiazin-4-one
Appearance Gray powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5OS
InChI InChI=1S/C12H11N5OS/c13-10-7-19-12-15-14-9(11(18)17(12)16-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,16)
InChIKey UYRYKNJBMXTDOQ-UHFFFAOYSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3401
Molecular Weight 273.314 g/mol
SMILES NC1=NN2C(C(=NN=C2SC1)Cc1ccccc1)=O
SPLASH splash10-0006-9300000000-b95065a7da18c6cb8f31
Source of Spectrum Y-56-246-9
Thin-Layer Chromatography Rf = 0.22 [pet. ether/ethyl acetate (4:1)]
Wiley ID 1859315