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5-((4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy)-4,7-dimethyl-2H-chromen-2-one
SpectraBase Compound ID 1G3t53DR7X6
InChI InChI=1S/C14H14N4O3S/c1-7-3-9(20-6-11-16-17-14(22)18(11)15)13-8(2)5-12(19)21-10(13)4-7/h3-5H,6,15H2,1-2H3,(H,17,22)
InChIKey MMVVVJBHICJYCM-UHFFFAOYSA-N
Mol Weight 318.35 g/mol
Molecular Formula C14H14N4O3S
Exact Mass 318.078661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7VxGp7K9e1
Name 5-((4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy)-4,7-dimethyl-2H-chromen-2-one
Appearance Dark brown powder
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Formula C14H14N4O3S
InChI InChI=1S/C14H14N4O3S/c1-7-3-9(20-6-11-16-17-14(22)18(11)15)13-8(2)5-12(19)21-10(13)4-7/h3-5H,6,15H2,1-2H3,(H,17,22)
InChIKey MMVVVJBHICJYCM-UHFFFAOYSA-N
Instrument Name Schimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3179
SMILES NN1C(=NNC1=S)COc1c2c(cc(c1)C)OC(C=C2C)=O
SPLASH splash10-00ko-9660000000-d7d7ad6c1a89d2225d85
Source of Spectrum Y-55-SM35-26
Wiley ID 1880787