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5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(2-nitrophenylthio)-1,3-diphenylisobenzofuran
SpectraBase Compound ID 2Ksbc1E81Gm
InChI InChI=1S/C27H20ClNO3S/c28-19-15-18-22-24(23(19)27(18)33-21-14-8-7-13-20(21)29(30)31)26(17-11-5-2-6-12-17)32-25(22)16-9-3-1-4-10-16/h1-14,18-19,23,27H,15H2/t18-,19+,23+,27?/m0/s1
InChIKey LRDGAYVDNPMNOI-UHFFFAOYSA-N
Mol Weight 473.97 g/mol
Molecular Formula C27H20ClNO3S
Exact Mass 473.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXeRijtz3uL
Name 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-8-anti-(2-nitrophenylthio)-1,3-diphenylisobenzofuran
Comments Less than 3 mono-isotopic peaks
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Formula C27H20ClNO3S
InChI InChI=1S/C27H20ClNO3S/c28-19-15-18-22-24(23(19)27(18)33-21-14-8-7-13-20(21)29(30)31)26(17-11-5-2-6-12-17)32-25(22)16-9-3-1-4-10-16/h1-14,18-19,23,27H,15H2/t18-,19+,23+,27?/m0/s1
InChIKey LRDGAYVDNPMNOI-UHFFFAOYSA-N
Molecular Weight 473.974 g/mol
SMILES c12c(c(-c3ccccc3)oc1-c1ccccc1)[C@]1(C([C@@]2([C@@](C1)(Cl)[H])[H])Sc1c(N(=O)=O)cccc1)[H]
SPLASH splash10-00di-0090700000-825cb59649f34c18b6e9
Source of Spectrum AJ-72-1602-33
Synonyms 5-exo-Chloro-4,5,6,7-tetrahydro-4,7-methano-1,3-diphenyl-8-anti-(2-nitrophenylthio)-1,3-diphenylisobenzofuran 8-chloro-10-[(2-nitrophenyl)sulfanyl]-3,5-diphenyl-4-oxatricyclo[5.2.1.0(2,6)]deca-2,5-diene 8-chloro-3,5-diphenyl-4-oxatricyclo[5.2.1.0(2,6)]deca-2,5-dien-10-yl 2-nitrophenyl sulfide
Wiley ID 775042