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2-[(4-bromobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[(4-bromobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SpectraBase Compound ID 64FIRRj4v6s
InChI InChI=1S/C18H17BrN2O4S/c1-22-14-8-12(9-15(23-2)16(14)24-3)17-20-21-18(25-17)26-10-11-4-6-13(19)7-5-11/h4-9H,10H2,1-3H3
InChIKey RXLXUQNMRNCDGU-UHFFFAOYSA-N
Mol Weight 437.31 g/mol
Molecular Formula C18H17BrN2O4S
Exact Mass 436.009241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgKr2cc0Sio
Name 2-[(4-bromobenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Alternate Name(s) 2-[(4-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole 2-[(4-bromophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
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Formula C18H17BrN2O4S
InChI InChI=1S/C18H17BrN2O4S/c1-22-14-8-12(9-15(23-2)16(14)24-3)17-20-21-18(25-17)26-10-11-4-6-13(19)7-5-11/h4-9H,10H2,1-3H3
InChIKey RXLXUQNMRNCDGU-UHFFFAOYSA-N
Molecular Weight 437.308 g/mol
SMILES COc1c(OC)c(cc(-c2oc(nn2)SCc2ccc(cc2)Br)c1)OC
SPLASH splash10-00r5-4900000000-d99e5d5b22e20eb8f391
Wiley ID 1451991