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1-(4-Bromo-phenyl)-4-methoxymethyl-6-methyl-2-oxa-8-thia-3,7-diaza-cyclopenta[a]indene
SpectraBase Compound ID LoAc986yeKj
InChI InChI=1S/C17H13BrN2O2S/c1-9-7-11(8-21-2)13-14-16(23-17(13)19-9)15(22-20-14)10-3-5-12(18)6-4-10/h3-7H,8H2,1-2H3
InChIKey NNCFDQBHAMCBOD-UHFFFAOYSA-N
Mol Weight 389.27 g/mol
Molecular Formula C17H13BrN2O2S
Exact Mass 387.988112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FRXNZQJlFN
Name 1-(4-Bromo-phenyl)-4-methoxymethyl-6-methyl-2-oxa-8-thia-3,7-diaza-cyclopenta[a]indene
Alternate Name(s) 3-(4-Bromophenyl)-8-(methoxymethyl)-6-methylisoxazolo[3',4':4,5]thieno[2,3-b]pyridine [3-(4-bromophenyl)-6-methylisoxazolo[3',4':4,5]thieno[2,3-b]pyridin-8-yl]methyl methyl ether
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Formula C17H13BrN2O2S
InChI InChI=1S/C17H13BrN2O2S/c1-9-7-11(8-21-2)13-14-16(23-17(13)19-9)15(22-20-14)10-3-5-12(18)6-4-10/h3-7H,8H2,1-2H3
InChIKey NNCFDQBHAMCBOD-UHFFFAOYSA-N
Molecular Weight 389.267 g/mol
SMILES c12c(c3c(cc(nc3s2)C)COC)noc1-c1ccc(cc1)Br
SPLASH splash10-055o-8934000000-4a927913f488cdc4f5e2
Wiley ID 1452872