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4,7-Dimethyl-5-((5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl) methoxy)-2H-chromen-2-one
SpectraBase Compound ID DQE3Po9N42U
InChI InChI=1S/C14H12N2O3S2/c1-7-3-9(18-6-11-15-16-14(20)21-11)13-8(2)5-12(17)19-10(13)4-7/h3-5H,6H2,1-2H3,(H,16,20)
InChIKey HKRDHOCRXXVUSN-UHFFFAOYSA-N
Mol Weight 320.38 g/mol
Molecular Formula C14H12N2O3S2
Exact Mass 320.028935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89vlNUfhqUV
Name 4,7-Dimethyl-5-((5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl) methoxy)-2H-chromen-2-one
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O3S2
InChI InChI=1S/C14H12N2O3S2/c1-7-3-9(18-6-11-15-16-14(20)21-11)13-8(2)5-12(17)19-10(13)4-7/h3-5H,6H2,1-2H3,(H,16,20)
InChIKey HKRDHOCRXXVUSN-UHFFFAOYSA-N
Instrument Name Schimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3179
Molecular Weight 320.381 g/mol
SMILES N1N=C(SC1=S)COc1cc(C)cc2c1C(=CC(O2)=O)C
SPLASH splash10-03di-9213000000-f2f49b02fa3151845910
Source of Spectrum Y-55-SM21-25
Wiley ID 1880786