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2-(2-Methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)acetonitrile
SpectraBase Compound ID DI9XGhHvmGK
InChI InChI=1S/C10H7N3O3S/c1-17-10-12-9-6(4-5-11)7(13(14)15)2-3-8(9)16-10/h2-3H,4H2,1H3
InChIKey IEGXYFQSMZWEPK-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 9WGIoXdu6Nx
Name 2-(2-Methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)acetonitrile
Alternate Name(s) 2-(2-Methylsulfanyl-5-nitro-1,3-benzoxazol-4-yl)ethanenitrile 2-[2-(methylthio)-5-nitro-1,3-benzoxazol-4-yl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O3S
InChI InChI=1S/C10H7N3O3S/c1-17-10-12-9-6(4-5-11)7(13(14)15)2-3-8(9)16-10/h2-3H,4H2,1H3
InChIKey IEGXYFQSMZWEPK-UHFFFAOYSA-N
Molecular Weight 249.244 g/mol
SMILES c12nc(oc1ccc(c2CC#N)N(=O)=O)SC
SPLASH splash10-0032-0790000000-827b575a6e02f3189bda
Source of Spectrum F-51-7284-7
Wiley ID 792314