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1-[4-methoxy-3-({[1-(1-naphthyl)-1H-tetraazol-5-yl]sulfanyl}methyl)phenyl]ethanone
SpectraBase Compound ID KLjzRZ5hvVV
InChI InChI=1S/C21H18N4O2S/c1-14(26)16-10-11-20(27-2)17(12-16)13-28-21-22-23-24-25(21)19-9-5-7-15-6-3-4-8-18(15)19/h3-12H,13H2,1-2H3
InChIKey NOGZKHHNZAUBDV-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C21H18N4O2S
Exact Mass 390.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK2ys6IPNt0
Name 1-[4-methoxy-3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]ethanone
Alternate Name(s) 1-[4-methoxy-3-[(1-naphthalen-1-yltetrazol-5-yl)sulfanylmethyl]phenyl]ethanone 1-[4-methoxy-3-[[1-(1-naphthyl)tetrazol-5-yl]sulfanylmethyl]phenyl]ethanone 1-[4-methoxy-3-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]phenyl]ethanone 1-[4-methoxy-3-[[[1-(1-naphthyl)tetrazol-5-yl]thio]methyl]phenyl]ethanone
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Formula C21H18N4O2S
InChI InChI=1S/C21H18N4O2S/c1-14(26)16-10-11-20(27-2)17(12-16)13-28-21-22-23-24-25(21)19-9-5-7-15-6-3-4-8-18(15)19/h3-12H,13H2,1-2H3
InChIKey NOGZKHHNZAUBDV-UHFFFAOYSA-N
Molecular Weight 390.461 g/mol
SMILES c1ccc2c(-[n]3c(nnn3)SCc3cc(C(=O)C)ccc3OC)cccc2c1
SPLASH splash10-0005-4900000000-bc21d4cb3f28cf992ec2
Wiley ID 1447031