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3-Phenyl-4-[5-(4-nitrophenyl)-.delta.(2)-1,2,4-oxadiazolin-3-yl]sydnone
SpectraBase Compound ID 249Xjtaoou3
InChI InChI=1S/C16H11N5O5/c22-16-13(20(19-26-16)11-4-2-1-3-5-11)14-17-15(25-18-14)10-6-8-12(9-7-10)21(23)24/h1-9,15H,(H-,17,18,19,22)
InChIKey MBTWJRKYDMSSBQ-UHFFFAOYSA-N
Mol Weight 353.29 g/mol
Molecular Formula C16H11N5O5
Exact Mass 353.076018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID O7g7KDgUS
Name 3-Phenyl-4-[5-(4-nitrophenyl)-.delta.(2)-1,2,4-oxadiazolin-3-yl]sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5O5
InChI InChI=1S/C16H11N5O5/c22-16-13(20(19-26-16)11-4-2-1-3-5-11)14-17-15(25-18-14)10-6-8-12(9-7-10)21(23)24/h1-9,15H,(H-,17,18,19,22)
InChIKey MBTWJRKYDMSSBQ-UHFFFAOYSA-N
Molecular Weight 353.294 g/mol
SMILES N1C(ON=C1c1[n+](noc1[O-])-c1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-004l-7093000000-046aa7ebdd83956fbb55
Source of Spectrum QA-33-66-5
Wiley ID 861073