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9-Bromo-2-nitro-9,10-dihydro-9,10-ethanoanthracen-10-yl p-tolyl sulfide

View entire compound with spectra: 1 MS (GC)

9-Bromo-2-nitro-9,10-dihydro-9,10-ethanoanthracen-10-yl p-tolyl sulfide
SpectraBase Compound ID BQdQpgxbYYs
InChI InChI=1S/C23H18BrNO2S/c1-15-6-9-17(10-7-15)28-23-13-12-22(24,18-4-2-3-5-19(18)23)21-14-16(25(26)27)8-11-20(21)23/h2-11,14H,12-13H2,1H3
InChIKey ATCURRSSIXJNIC-UHFFFAOYSA-N
Mol Weight 452.37 g/mol
Molecular Formula C23H18BrNO2S
Exact Mass 451.024163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4AYPtiYgQQ
Name 9-Bromo-2-nitro-9,10-dihydro-9,10-ethanoanthracen-10-yl p-tolyl sulfide
Alternate Name(s) 1-Bromo-8-[(4-methylphenyl)sulfanyl]-4-nitrotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene 8-Bromo-5-nitrotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-1-yl 4-methylphenyl sulfide
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Formula C23H18BrNO2S
InChI InChI=1S/C23H18BrNO2S/c1-15-6-9-17(10-7-15)28-23-13-12-22(24,18-4-2-3-5-19(18)23)21-14-16(25(26)27)8-11-20(21)23/h2-11,14H,12-13H2,1H3
InChIKey ATCURRSSIXJNIC-UHFFFAOYSA-N
Molecular Weight 452.366 g/mol
SMILES C12(c3c(cc(N(=O)=O)cc3)C(CC1)(Br)c1c2cccc1)Sc1ccc(cc1)C
SPLASH splash10-0umi-0020900000-0b1aad703e84978890b3
Source of Spectrum JA-49-581-0
Wiley ID 1387948