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1-[2-nitro-5-({2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}sulfanyl)phenyl]piperidine
SpectraBase Compound ID J9mvuVVkzd4
InChI InChI=1S/C21H22N4O4S/c26-25(27)18-10-9-17(15-19(18)24-11-5-2-6-12-24)30-14-13-28-21-20(22-29-23-21)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
InChIKey ACFSNTGFRBWARG-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C21H22N4O4S
Exact Mass 426.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5op75ZnW6Tb
Name 1-[2-nitro-5-({2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}sulfanyl)phenyl]piperidine
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Formula C21H22N4O4S
InChI InChI=1S/C21H22N4O4S/c26-25(27)18-10-9-17(15-19(18)24-11-5-2-6-12-24)30-14-13-28-21-20(22-29-23-21)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
InChIKey ACFSNTGFRBWARG-UHFFFAOYSA-N
Molecular Weight 426.491 g/mol
SMILES c1(N(=O)=O)c(N2CCCCC2)cc(cc1)SCCOc1c(non1)-c1ccccc1
SPLASH splash10-0a4i-3960500000-c0c725976ef3c1bff85f
Synonyms 3-[2-(4-nitro-3-piperidin-1-yl-phenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole 3-[2-[(4-nitro-3-piperidino-phenyl)thio]ethoxy]-4-phenyl-furazan 3-[2-[4-nitro-3-(1-piperidyl)phenyl]sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole 3-[2-[[4-nitro-3-(1-piperidinyl)phenyl]thio]ethoxy]-4-phenyl-1,2,5-oxadiazole
Wiley ID 1437089