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2-endo-Chloro-3-exo-(2,4-dinitrophenylthio)-10-nitrobenzonorbornene
SpectraBase Compound ID 8HxVtmrWnrI
InChI InChI=1S/C17H12ClN3O6S/c18-16-12-7-13(11-5-8(19(22)23)1-3-10(11)12)17(16)28-15-4-2-9(20(24)25)6-14(15)21(26)27/h1-6,12-13,16-17H,7H2/t12-,13+,16-,17-/m0/s1
InChIKey FOOCXJDUMJKLBA-RMHZUWNSSA-N
Mol Weight 421.81 g/mol
Molecular Formula C17H12ClN3O6S
Exact Mass 421.013534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhIV6qOe0Bi
Name 2-endo-Chloro-3-exo-(2,4-dinitrophenylthio)-10-nitrobenzonorbornene
Alternate Name(s) 10-chloro-5-nitrotricyclo[6.2.1.0(2,7)]undeca-2,4,6-trien-9-yl 2,4-dinitrophenyl sulfide 9-Chloro-10-[(2,4-dinitrophenyl)sulfanyl]-4-nitrotricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene
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Formula C17H12ClN3O6S
InChI InChI=1S/C17H12ClN3O6S/c18-16-12-7-13(11-5-8(19(22)23)1-3-10(11)12)17(16)28-15-4-2-9(20(24)25)6-14(15)21(26)27/h1-6,12-13,16-17H,7H2/t12-,13+,16-,17-/m0/s1
InChIKey FOOCXJDUMJKLBA-RMHZUWNSSA-N
Molecular Weight 421.811 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)ccc1S[C@]1([C@]2(c3cc(N(=O)=O)ccc3[C@@]([C@@]1(Cl)[H])(C2)[H])[H])[H]
SPLASH splash10-02t9-0900000000-3276bc05e3c741d9a9b8
Source of Spectrum K-117-1149-0
Wiley ID 1378248