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3-Phenyl-4-(5'-amino-4'-cyanoisoxazol-3'-yl)sydnone
SpectraBase Compound ID Cdbo1ntBQ7S
InChI InChI=1S/C12H7N5O3/c13-6-8-9(15-19-11(8)14)10-12(18)20-16-17(10)7-4-2-1-3-5-7/h1-5H,(H2-,14,15,16,18)
InChIKey JXWPWZRUABILMN-UHFFFAOYSA-N
Mol Weight 269.22 g/mol
Molecular Formula C12H7N5O3
Exact Mass 269.054889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PjfOS6Wo1v
Name 3-Phenyl-4-(5'-amino-4'-cyanoisoxazol-3'-yl)sydnone
Alternate Name(s) 4-(5-amino-4-cyano-3-isoxazolyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7N5O3
InChI InChI=1S/C12H7N5O3/c13-6-8-9(15-19-11(8)14)10-12(18)20-16-17(10)7-4-2-1-3-5-7/h1-5H,(H2-,14,15,16,18)
InChIKey JXWPWZRUABILMN-UHFFFAOYSA-N
Molecular Weight 269.220 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccccc2)no1)C#N
SPLASH splash10-01t9-9060000000-82780ba7909568351fc4
Source of Spectrum QA-39-166-4
Wiley ID 861437