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6-Benzyl-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-3-mercapto-1,2,4-triazin-5(4H)-one
SpectraBase Compound ID K6jIQ1KYeN0
InChI InChI=1S/C21H16N4O2S/c26-19-11-10-15-8-4-5-9-16(15)17(19)13-22-25-20(27)18(23-24-21(25)28)12-14-6-2-1-3-7-14/h1-11,13,26H,12H2,(H,24,28)/b22-13+
InChIKey LGCPIQWSJMXDRO-LPYMAVHISA-N
Mol Weight 388.45 g/mol
Molecular Formula C21H16N4O2S
Exact Mass 388.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhtoDc4N0bC
Name 6-Benzyl-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-3-mercapto-1,2,4-triazin-5(4H)-one
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4O2S
InChI InChI=1S/C21H16N4O2S/c26-19-11-10-15-8-4-5-9-16(15)17(19)13-22-25-20(27)18(23-24-21(25)28)12-14-6-2-1-3-7-14/h1-11,13,26H,12H2,(H,24,28)/b22-13+
InChIKey LGCPIQWSJMXDRO-LPYMAVHISA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3401
Molecular Weight 388.445 g/mol
SMILES N1N=C(C(N(\N=C\c2c(ccc3c2cccc3)O)C1=S)=O)Cc1ccccc1
SPLASH splash10-014i-0900000000-73c2bfe8524d2840d7ae
Source of Spectrum Y-56-248-16b
Thin-Layer Chromatography Rf = 0.4 [pet. ether/ethyl acetate (4:1.5)]
Wiley ID 1859308