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3-Isoxazolecarbonitrile, 4-amino-5-benzoyl-

View entire compound with spectra: 1 MS (GC)

3-Isoxazolecarbonitrile, 4-amino-5-benzoyl-
SpectraBase Compound ID 42cD8qWy08A
InChI InChI=1S/C11H7N3O2/c12-6-8-9(13)11(16-14-8)10(15)7-4-2-1-3-5-7/h1-5H,13H2
InChIKey GKHVYZGKFJOVHL-UHFFFAOYSA-N
Mol Weight 213.2 g/mol
Molecular Formula C11H7N3O2
Exact Mass 213.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjAwuZj98es
Name 3-Isoxazolecarbonitrile, 4-amino-5-benzoyl-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O2
InChI InChI=1S/C11H7N3O2/c12-6-8-9(13)11(16-14-8)10(15)7-4-2-1-3-5-7/h1-5H,13H2
InChIKey GKHVYZGKFJOVHL-UHFFFAOYSA-N
Molecular Weight 213.196 g/mol
SMILES Nc1c(onc1C#N)C(c1ccccc1)=O
SPLASH splash10-0a6r-9820000000-96d1abe72be1d560ff83
Source of Spectrum IY-2-4849-9
Synonyms 4-Amino-5-benzoyl-1,2-oxazole-3-carbonitrile 4-Amino-5-benzoyl-3-isoxazolecarbonitrile 4-Azanyl-5-(phenylcarbonyl)-1,2-oxazole-3-carbonitrile
Wiley ID 1656722