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2-(Diaminomethylene)benzo[b]thiophene-3(2H)-one 1,1-dioxide
SpectraBase Compound ID L52OayOgUSV
InChI InChI=1S/C9H8N2O3S/c10-9(11)8-7(12)5-3-1-2-4-6(5)15(8,13)14/h1-4H,10-11H2
InChIKey KMDZSURAGKSKSR-UHFFFAOYSA-N
Mol Weight 224.23 g/mol
Molecular Formula C9H8N2O3S
Exact Mass 224.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkRx9hzeJPy
Name 2-(Diaminomethylene)benzo[b]thiophene-3(2H)-one 1,1-dioxide
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O3S
InChI InChI=1S/C9H8N2O3S/c10-9(11)8-7(12)5-3-1-2-4-6(5)15(8,13)14/h1-4H,10-11H2
InChIKey KMDZSURAGKSKSR-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.28
Molecular Weight 224.234 g/mol
SMILES NC(=C1S(c2ccccc2C1=O)(=O)=O)N
SPLASH splash10-00di-0390000000-c3b6e4b8ea85674ebf6e
Source of Spectrum BJO-8-272-4
Wiley ID 1867357