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3-(p-Methylphenyl)-4-(5'-amino-4'-cyanoisoxazol-3'-yl)sydnone
SpectraBase Compound ID CGV5qU5l02m
InChI InChI=1S/C13H9N5O3/c1-7-2-4-8(5-3-7)18-11(13(19)21-17-18)10-9(6-14)12(15)20-16-10/h2-5H,1H3,(H2-,15,16,17,19)
InChIKey VRTAOFMQSXPAEY-UHFFFAOYSA-N
Mol Weight 283.25 g/mol
Molecular Formula C13H9N5O3
Exact Mass 283.070539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OiDTxbigAQ
Name 3-(p-Methylphenyl)-4-(5'-amino-4'-cyanoisoxazol-3'-yl)sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N5O3
InChI InChI=1S/C13H9N5O3/c1-7-2-4-8(5-3-7)18-11(13(19)21-17-18)10-9(6-14)12(15)20-16-10/h2-5H,1H3,(H2-,15,16,17,19)
InChIKey VRTAOFMQSXPAEY-UHFFFAOYSA-N
Molecular Weight 283.247 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccc(cc2)C)no1)C#N
SPLASH splash10-004i-0090000000-7d5496610ae9c82ae5d9
Source of Spectrum QA-39-166-4
Synonyms 4-(5-amino-4-cyano-3-isoxazolyl)-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 861436