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2-(2-keto-5-nitro-3H-1,3-benzoxazol-4-yl)acetonitrile
SpectraBase Compound ID 2sxd66ByEf5
InChI InChI=1S/C9H5N3O4/c10-4-3-5-6(12(14)15)1-2-7-8(5)11-9(13)16-7/h1-2H,3H2,(H,11,13)
InChIKey YGIGJPJHEGOPNC-UHFFFAOYSA-N
Mol Weight 219.16 g/mol
Molecular Formula C9H5N3O4
Exact Mass 219.028006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZBtI0yap5b
Name 2-(2-keto-5-nitro-3H-1,3-benzoxazol-4-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5N3O4
InChI InChI=1S/C9H5N3O4/c10-4-3-5-6(12(14)15)1-2-7-8(5)11-9(13)16-7/h1-2H,3H2,(H,11,13)
InChIKey YGIGJPJHEGOPNC-UHFFFAOYSA-N
Molecular Weight 219.156 g/mol
SMILES N1c2c(c(ccc2OC1=O)N(=O)=O)CC#N
SPLASH splash10-0udi-0390000000-ff769a003c93e1f9f9b6
Source of Spectrum F-51-7285-9
Synonyms 2-(5-nitro-2-oxidanylidene-3H-1,3-benzoxazol-4-yl)ethanenitrile 2-(5-nitro-2-oxo-3H-1,3-benzoxazol-4-yl)acetonitrile
Wiley ID 792307