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2,6-endo-8,12-exo-3,5-Dioxo-4-phenyl-10-phenylmethylene-9,11-dithia-4-azatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
SpectraBase Compound ID 8nXeshUwpS4
InChI InChI=1S/C23H19NO2S2/c25-22-18-15-12-16(19(18)23(26)24(22)14-9-5-2-6-10-14)21-20(15)27-17(28-21)11-13-7-3-1-4-8-13/h1-11,15-16,18-21H,12H2/b17-11-/t15-,16+,18?,19+,20-,21+/m1/s1
InChIKey FWUMBWSCKUEBPH-LJQMBZPUSA-N
Mol Weight 405.53 g/mol
Molecular Formula C23H19NO2S2
Exact Mass 405.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mX347tSabV
Name 2,6-endo-8,12-exo-3,5-Dioxo-4-phenyl-10-phenylmethylene-9,11-dithia-4-azatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
Alternate Name(s) 4-Benzylidene-10-phenyl-3,5-dithia-10-azatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane-9,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19NO2S2
InChI InChI=1S/C23H19NO2S2/c25-22-18-15-12-16(19(18)23(26)24(22)14-9-5-2-6-10-14)21-20(15)27-17(28-21)11-13-7-3-1-4-8-13/h1-11,15-16,18-21H,12H2/b17-11-/t15-,16+,18?,19+,20-,21+/m1/s1
InChIKey FWUMBWSCKUEBPH-LJQMBZPUSA-N
Molecular Weight 405.530 g/mol
SMILES C1(N(C(C2[C@@]3([C@]4(S\C(S[C@]4([C@]([C@]12[H])(C3)[H])[H])=C\c1ccccc1)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-014l-9410000000-cc88f5825e3b0cf691ec
Source of Spectrum F-53-2267-17
Wiley ID 800589