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4-Allyl-1-[3-methyl-2-(N-phenylcarbamoyl)-1,4-dioxidequinoxaline-7(6)-yl]methylidene thiosemicarbazide
SpectraBase Compound ID HMfmzlgdJy6
InChI InChI=1S/C21H20N6O3S/c1-3-11-22-21(31)25-23-13-15-9-10-17-18(12-15)27(30)19(14(2)26(17)29)20(28)24-16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,24,28)(H2,22,25,31)/b23-13+
InChIKey SQDCGDBLYIJQCS-YDZHTSKRSA-N
Mol Weight 436.49 g/mol
Molecular Formula C21H20N6O3S
Exact Mass 436.13176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEtZkLEljlU
Name 4-Allyl-1-[3-methyl-2-(N-phenylcarbamoyl)-1,4-dioxidequinoxaline-7(6)-yl]methylidene thiosemicarbazide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N6O3S
InChI InChI=1S/C21H20N6O3S/c1-3-11-22-21(31)25-23-13-15-9-10-17-18(12-15)27(30)19(14(2)26(17)29)20(28)24-16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,24,28)(H2,22,25,31)/b23-13+
InChIKey SQDCGDBLYIJQCS-YDZHTSKRSA-N
Molecular Weight 436.490 g/mol
SMILES N(C(=S)NCC=C)\N=C\c1ccc2c([n+](c(C(Nc3ccccc3)=O)c([n+]2[O-])C)[O-])c1
SPLASH splash10-0670-6920100000-2adf4b33e2c37c76c9b4
Source of Spectrum F2-45-2161-19
Wiley ID 1689145