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1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[[5-(methylthio)-1H-1,2,4-triazol-3-yl]amino]-
SpectraBase Compound ID Fm9e1aSRu3Z
InChI InChI=1S/C13H14N4O4S/c1-19-7-5-4-6-8(9(7)20-2)11(18)21-10(6)14-12-15-13(22-3)17-16-12/h4-5,10H,1-3H3,(H2,14,15,16,17)
InChIKey UUSHPSLVBFCFIZ-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C13H14N4O4S
Exact Mass 322.073576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sSmlNYURBE
Name 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[[5-(methylthio)-1H-1,2,4-triazol-3-yl]amino]-
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Formula C13H14N4O4S
InChI InChI=1S/C13H14N4O4S/c1-19-7-5-4-6-8(9(7)20-2)11(18)21-10(6)14-12-15-13(22-3)17-16-12/h4-5,10H,1-3H3,(H2,14,15,16,17)
InChIKey UUSHPSLVBFCFIZ-UHFFFAOYSA-N
Molecular Weight 322.339 g/mol
SMILES N(c1n[nH]c(n1)SC)C1c2c(C(O1)=O)c(c(cc2)OC)OC
SPLASH splash10-0006-3921000000-f000472ae51b24f412e8
Source of Spectrum IY-2-4791-5
Synonyms 6,7-Dimethoxy-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-3H-isobenzofuran-1-one 6,7-Dimethoxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3H-isobenzofuran-1-one 6,7-Dimethoxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3H-2-benzofuran-1-one
Wiley ID 1655898