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(E)-5-Bromo-3-nitrovinyl-7-(p-toluenesulfonyloxy)indole
SpectraBase Compound ID 4Rg2ZtMja5k
InChI InChI=1S/C17H13BrN2O5S/c1-11-2-4-14(5-3-11)26(23,24)25-16-9-13(18)8-15-12(6-7-20(21)22)10-19-17(15)16/h2-10,19H,1H3/b7-6+
InChIKey VPJDNQGPHCZNQP-VOTSOKGWSA-N
Mol Weight 437.26 g/mol
Molecular Formula C17H13BrN2O5S
Exact Mass 435.972856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 848tRJ1O9KJ
Name (E)-5-Bromo-3-nitrovinyl-7-(p-toluenesulfonyloxy)indole
Comments Less than 3 mono-isotopic peaks
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Formula C17H13BrN2O5S
InChI InChI=1S/C17H13BrN2O5S/c1-11-2-4-14(5-3-11)26(23,24)25-16-9-13(18)8-15-12(6-7-20(21)22)10-19-17(15)16/h2-10,19H,1H3/b7-6+
InChIKey VPJDNQGPHCZNQP-VOTSOKGWSA-N
Molecular Weight 437.264 g/mol
SMILES [nH]1cc(c2cc(cc(c12)OS(c1ccc(cc1)C)(=O)=O)Br)\C=C\N(=O)=O
SPLASH splash10-000f-9000800000-31b6e196d05f78b80041
Source of Spectrum PS-54-61-48
Synonyms 5-bromo-3-(1-nitrovinyl)-1H-indol-7-yl 4-methylbenzenesulfonate Toluene-4-sulfonic acid 5-bromo-3-((E)-2-nitro-vinyl)-1H-indol-7-yl ester 4-methylbenzenesulfonic acid [5-bromo-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] ester [5-bromo-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] 4-methylbenzenesulfonate [5-bromo-3-[(E)-2-nitrovinyl]-1H-indol-7-yl] 4-methylbenzenesulfonate [5-bromanyl-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] 4-methylbenzenesulfonate
Wiley ID 805214