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3-Phenyl-4-[5'-amino-4'-(p-ethoxycarbonyl)isoxazol-3'-yl]sydnone
SpectraBase Compound ID CEX8YEW9v0t
InChI InChI=1S/C14H12N4O5/c1-2-21-13(19)9-10(16-22-12(9)15)11-14(20)23-17-18(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2-,15,16,17,19,20)
InChIKey KPIVFZSCFYOILU-UHFFFAOYSA-N
Mol Weight 316.27 g/mol
Molecular Formula C14H12N4O5
Exact Mass 316.080769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9skG1mEsstI
Name 3-Phenyl-4-[5'-amino-4'-(p-ethoxycarbonyl)isoxazol-3'-yl]sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N4O5
InChI InChI=1S/C14H12N4O5/c1-2-21-13(19)9-10(16-22-12(9)15)11-14(20)23-17-18(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2-,15,16,17,19,20)
InChIKey KPIVFZSCFYOILU-UHFFFAOYSA-N
Molecular Weight 316.273 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccccc2)no1)C(=O)OCC
SPLASH splash10-0a4i-0091000000-c80e345b1002dc9a7355
Source of Spectrum QA-39-166-4
Wiley ID 861431