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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 I5BNrs3UK4D
Name 2-Imino-6-nitro-2H-1-benzopyran-3-carbothioamide
Alternate Name(s) 2-Azanylidene-6-nitro-chromene-3-carbothioamide 2-imino-6-nitro-1-benzopyran-3-carbothioamide 2-Imino-6-nitro-2H-chromene-3-carbothioamide 2-imino-6-nitro-chromene-3-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 249.244 g/mol
SMILES NC(C=1C(Oc2ccc(cc2C1)N(=O)=O)=N)=S
SPLASH splash10-0ik9-9200000000-b564522017a88b851f22
Wiley ID 1469691