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3-(2'-Azidophenyl)-4-[(t-tolyl)sulfoxy]-5-phenylisoxazole
SpectraBase Compound ID AdCgAwcWouo
InChI InChI=1S/C22H16N4O2S/c1-15-11-13-17(14-12-15)29(27)22-20(18-9-5-6-10-19(18)24-26-23)25-28-21(22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKey IGGSORRKPGUQQV-UHFFFAOYSA-N
Mol Weight 400.46 g/mol
Molecular Formula C22H16N4O2S
Exact Mass 400.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HD8FnhFU4zf
Name 3-(2'-Azidophenyl)-4-[(t-tolyl)sulfoxy]-5-phenylisoxazole
Alternate Name(s) 3-(2-azidophenyl)-4-(4-methylphenyl)sulfinyl-5-phenylisoxazole 3-(2-azidophenyl)-4-(4-methylphenyl)sulfinyl-5-phenyl-1,2-oxazole
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Formula C22H16N4O2S
InChI InChI=1S/C22H16N4O2S/c1-15-11-13-17(14-12-15)29(27)22-20(18-9-5-6-10-19(18)24-26-23)25-28-21(22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKey IGGSORRKPGUQQV-UHFFFAOYSA-N
Molecular Weight 400.456 g/mol
SMILES c1(c(noc1-c1ccccc1)-c1c(N=[N+]=[N-])cccc1)S(c1ccc(cc1)C)=O
SPLASH splash10-009i-9658000000-a9b7f6ef1df7aea05f87
Source of Spectrum HE-2004-104-10
Wiley ID 1581630