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3-(4-Amino-1,2,5-oxadiazol-3-yl)-4,5-dihydro-5-isoxazolecarbonitrile
SpectraBase Compound ID FzMyxGjLw8c
InChI InChI=1S/C6H5N5O2/c7-2-3-1-4(9-12-3)5-6(8)11-13-10-5/h3H,1H2,(H2,8,11)
InChIKey IIYOGEOMJSZOST-UHFFFAOYSA-N
Mol Weight 179.14 g/mol
Molecular Formula C6H5N5O2
Exact Mass 179.044324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjhAXc5mXMP
Name 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4,5-dihydro-5-isoxazolecarbonitrile
CAS Registry Number 147085-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N5O2
InChI InChI=1S/C6H5N5O2/c7-2-3-1-4(9-12-3)5-6(8)11-13-10-5/h3H,1H2,(H2,8,11)
InChIKey IIYOGEOMJSZOST-UHFFFAOYSA-N
Molecular Weight 179.139 g/mol
SMILES Nc1nonc1C=1CC(ON1)C#N
SPLASH splash10-0pb9-9200000000-f19b4271c4f4d9edb695
Source of Spectrum AD-0-2532-0
Synonyms 2-Isoxazoline-5-carbonitrile, 3-(4-aminofurazan-3-yl)- 3-(4-amino-1,2,5-oxadiazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carbonitrile 3-(4-amino-1,2,5-oxadiazol-3-yl)-4,5-dihydroisoxazole-5-carbonitrile 3-(4-aminofurazan-3-yl)-2-isoxazoline-5-carbonitrile 3-(4-azanyl-1,2,5-oxadiazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
Wiley ID 1424703