For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-Ethyl-4-hydroxy-3-{[(6-methyl-5-oxo-3-thioxo-2,5-dihydro-1,2,4-triazin-4(3H)-yl)imino]methyl}-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
SpectraBase Compound ID fzHoNnnzYf
InChI InChI=1S/C19H15N5O5S/c1-3-23-12-7-5-4-6-10(12)15-13(17(23)27)14(25)11(18(28)29-15)8-20-24-16(26)9(2)21-22-19(24)30/h4-8,25H,3H2,1-2H3,(H,22,30)
InChIKey NUQZLDDZQAPLKQ-UHFFFAOYSA-N
Mol Weight 425.42 g/mol
Molecular Formula C19H15N5O5S
Exact Mass 425.07939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3FhShw8tTtg
Name 6-Ethyl-4-hydroxy-3-{[(6-methyl-5-oxo-3-thioxo-2,5-dihydro-1,2,4-triazin-4(3H)-yl)imino]methyl}-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N5O5S
InChI InChI=1S/C19H15N5O5S/c1-3-23-12-7-5-4-6-10(12)15-13(17(23)27)14(25)11(18(28)29-15)8-20-24-16(26)9(2)21-22-19(24)30/h4-8,25H,3H2,1-2H3,(H,22,30)
InChIKey NUQZLDDZQAPLKQ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3440
Molecular Weight 425.419 g/mol
SMILES N1N=C(C(N(N=CC2=C(C=3C(N(c4ccccc4C3OC2=O)CC)=O)O)C1=S)=O)C
SPLASH splash10-003r-3890000000-ea83d4b43bb68a99c743
Source of Spectrum Y-56-633-7
Wiley ID 1859431