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4-Nitro-9-bromo-2-(p-toluenesulphonyl)-1,2-dihydrobenz[6,7]oxepino-[4,3,2-cd]indole
SpectraBase Compound ID gRO0QH85I7
InChI InChI=1S/C22H15BrN2O5S/c1-13-2-5-18(6-3-13)31(28,29)24-12-15-8-14-9-16(23)4-7-20(14)30-21-11-17(25(26)27)10-19(24)22(15)21/h2-11H,12H2,1H3
InChIKey QSWROISQSKQHEU-UHFFFAOYSA-N
Mol Weight 499.34 g/mol
Molecular Formula C22H15BrN2O5S
Exact Mass 497.988506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gN8Qcfhx0E
Name 4-Nitro-9-bromo-2-(p-toluenesulphonyl)-1,2-dihydrobenz[6,7]oxepino-[4,3,2-cd]indole
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Formula C22H15BrN2O5S
InChI InChI=1S/C22H15BrN2O5S/c1-13-2-5-18(6-3-13)31(28,29)24-12-15-8-14-9-16(23)4-7-20(14)30-21-11-17(25(26)27)10-19(24)22(15)21/h2-11H,12H2,1H3
InChIKey QSWROISQSKQHEU-UHFFFAOYSA-N
Molecular Weight 499.335 g/mol
SMILES c12N(S(c3ccc(C)cc3)(=O)=O)CC3=Cc4cc(ccc4Oc(c13)cc(N(=O)=O)c2)Br
SPLASH splash10-0002-3092110000-ac93774530e510a57d31
Source of Spectrum F-65-6870-2b
Synonyms 9-Bromo-2-[(4-methylphenyl)sulfonyl]-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Wiley ID 1679850