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

View entire compound with spectra: 1 MS (GC)

10-iodo-2-nitro-9,10-dihydro-9,10-ethanoanthracen-9-yl p-tolyl sulfide
SpectraBase Compound ID KVF0iOcTwST
InChI InChI=1S/C23H18INO2S/c1-15-6-9-17(10-7-15)28-23-13-12-22(24,18-4-2-3-5-20(18)23)19-11-8-16(25(26)27)14-21(19)23/h2-11,14H,12-13H2,1H3
InChIKey CFGQGXVBIIZNOD-UHFFFAOYSA-N
Mol Weight 499.37 g/mol
Molecular Formula C23H18INO2S
Exact Mass 499.010295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyxYfmzKHVC
Name 10-iodo-2-nitro-9,10-dihydro-9,10-ethanoanthracen-9-yl p-tolyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18INO2S
InChI InChI=1S/C23H18INO2S/c1-15-6-9-17(10-7-15)28-23-13-12-22(24,18-4-2-3-5-20(18)23)19-11-8-16(25(26)27)14-21(19)23/h2-11,14H,12-13H2,1H3
InChIKey CFGQGXVBIIZNOD-UHFFFAOYSA-N
Molecular Weight 499.366 g/mol
SMILES C12(c3c(ccc(N(=O)=O)c3)C(CC1)(I)c1c2cccc1)Sc1ccc(cc1)C
SPLASH splash10-0f92-9455210000-42316c84d3b28a188b6e
Source of Spectrum JA-49-581-0
Synonyms 8-iodo-1-[(4-methylphenyl)sulfanyl]-4-nitrotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene 8-iodo-4-nitrotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-1-yl 4-methylphenyl sulfide
Wiley ID 1398703