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2-Imino-6-nitro-2H-1-benzopyran-3-carbothioamide
SpectraBase Compound ID PkAbbFDGDb
InChI InChI=1S/C10H7N3O3S/c11-9-7(10(12)17)4-5-3-6(13(14)15)1-2-8(5)16-9/h1-4,11H,(H2,12,17)
InChIKey OPVVGXXCFRSJKN-UHFFFAOYSA-N
Mol Weight 249.24 g/mol
Molecular Formula C10H7N3O3S
Exact Mass 249.020812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INN7mB4fL6g
Name 2-IMINO-6-NITRO-2H-1-BENZOPYRAN-3-CARBOTHIOAMIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H7N3O3S
InChI InChI=1S/C10H7N3O3S/c11-9-7(10(12)17)4-5-3-6(13(14)15)1-2-8(5)16-9/h1-4,11H,(H2,12,17)
InChIKey OPVVGXXCFRSJKN-UHFFFAOYSA-N
Molecular Weight 249.0207
SMILES N=C1C(C(=S)N)=Cc2cc(ccc2O1)N(=O)=O
SPLASH splash10-0ik9-9200000000-cd13caef89eded30abf4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany