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5-[(4,9-Dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl)methylidene]-2-thioxodihydro-pyrimidine-4,6(1H,5H)-dione
SpectraBase Compound ID 7DYeuOXlPuH
InChI InChI=1S/C18H12N2O7S/c1-24-12-8-3-4-26-13(8)15(25-2)14-10(12)11(21)7(6-27-14)5-9-16(22)19-18(28)20-17(9)23/h3-6H,1-2H3,(H2,19,20,22,23,28)
InChIKey UGFKCIDYBZGHNQ-UHFFFAOYSA-N
Mol Weight 400.36 g/mol
Molecular Formula C18H12N2O7S
Exact Mass 400.036522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50jZE6zqriA
Name 5-[(4,9-Dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl)methylidene]-2-thioxodihydro-pyrimidine-4,6(1H,5H)-dione
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O7S
InChI InChI=1S/C18H12N2O7S/c1-24-12-8-3-4-26-13(8)15(25-2)14-10(12)11(21)7(6-27-14)5-9-16(22)19-18(28)20-17(9)23/h3-6H,1-2H3,(H2,19,20,22,23,28)
InChIKey UGFKCIDYBZGHNQ-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3991
Molecular Weight 400.361 g/mol
SMILES N1C(NC(C(=CC2=COc3c(c4c(c(OC)c3C2=O)cco4)OC)C1=O)=O)=S
SPLASH splash10-0900-9630000000-c1b08002b8dfb5de400b
Source of Spectrum Y-57-SM39-26
Wiley ID 1860235