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3-Phenyl-4-[5'-(tert-butyl)-4'-cyanoisoxazol-3'-yl]sydnone
SpectraBase Compound ID EOhMpWSxfiC
InChI InChI=1S/C16H14N4O3/c1-16(2,3)14-11(9-17)12(18-22-14)13-15(21)23-19-20(13)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey QKZJHXOAQNSBTL-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C16H14N4O3
Exact Mass 310.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvWkIaaPA2C
Name 3-Phenyl-4-[5'-(tert-butyl)-4'-cyanoisoxazol-3'-yl]sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O3
InChI InChI=1S/C16H14N4O3/c1-16(2,3)14-11(9-17)12(18-22-14)13-15(21)23-19-20(13)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey QKZJHXOAQNSBTL-UHFFFAOYSA-N
Molecular Weight 310.313 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)-c1c(c(C(C)(C)C)on1)C#N
SPLASH splash10-0udi-2090000000-024e5a3f98e17dbbbe0a
Source of Spectrum QA-39-166-4
Synonyms 3-Phenyl-4-[5'-(tert-butylyl)-4'-cyanoisoxazol-3'-yl]sydnone 4-(5-tert-butyl-4-cyano-3-isoxazolyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 861428