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

*Links on SpectraBase are not permalinks.
4-{[(4,9-Dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl) methylidene]amino}-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5 (2H)-one
SpectraBase Compound ID AJAdxHoKc0C
InChI InChI=1S/C18H14N4O6S/c1-8-17(24)22(18(29)21-20-8)19-6-9-7-28-15-11(12(9)23)13(25-2)10-4-5-27-14(10)16(15)26-3/h4-7H,1-3H3,(H,21,29)
InChIKey CIAIKFKAYUFGAE-UHFFFAOYSA-N
Mol Weight 414.39 g/mol
Molecular Formula C18H14N4O6S
Exact Mass 414.063405 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 LoD3dHZd87a
Name 4-{[(4,9-Dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl) methylidene]amino}-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5 (2H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4O6S
InChI InChI=1S/C18H14N4O6S/c1-8-17(24)22(18(29)21-20-8)19-6-9-7-28-15-11(12(9)23)13(25-2)10-4-5-27-14(10)16(15)26-3/h4-7H,1-3H3,(H,21,29)
InChIKey CIAIKFKAYUFGAE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2733
Molecular Weight 414.392 g/mol
SMILES N1N=C(C(N(C1=S)N=CC1=COc2c(c(c3c(c2OC)occ3)OC)C1=O)=O)C
SPLASH splash10-006x-2290000000-483666311e7881bb8062
Source of Spectrum Y-54-1474-12
Wiley ID 1878237