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3-(4-nitroanilino)-2-(phenylthio)-2H-furan-5-one
SpectraBase Compound ID LjEuuSAfUDY
InChI InChI=1S/C16H12N2O4S/c19-15-10-14(16(22-15)23-13-4-2-1-3-5-13)17-11-6-8-12(9-7-11)18(20)21/h1-10,16-17H
InChIKey JTQRKFPDBCOJIT-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H12N2O4S
Exact Mass 328.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SYODZHyWfF
Name 3-(4-nitroanilino)-2-(phenylthio)-2H-furan-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H12N2O4S
InChI InChI=1S/C16H12N2O4S/c19-15-10-14(16(22-15)23-13-4-2-1-3-5-13)17-11-6-8-12(9-7-11)18(20)21/h1-10,16-17H
InChIKey JTQRKFPDBCOJIT-UHFFFAOYSA-N
Molecular Weight 328.342 g/mol
SMILES N(C1=CC(=O)OC1Sc1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-014i-0090000000-02d9af4c69fda2348384
Source of Spectrum H1-52-248-20
Synonyms 3-(4-nitroanilino)-2-phenylsulfanyl-2H-furan-5-one 3-[(4-nitrophenyl)amino]-2-phenylsulfanyl-2H-furan-5-one
Wiley ID 817598