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N,8-bis(benzyl)-7-keto-6-(2,4,6-trinitrophenyl)-1$l^{4}-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-1(5),2-diene-4-carboxamide
SpectraBase Compound ID 5uSfrfpdHBs
InChI InChI=1S/C23H17N9O8S/c33-21(24-13-15-7-3-1-4-8-15)29-23-28(20-18(31(37)38)11-17(30(35)36)12-19(20)32(39)40)22(34)27(41(23)26-25-29)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,24,33)
InChIKey BOEAKHQXVRFHML-UHFFFAOYSA-N
Mol Weight 579.5 g/mol
Molecular Formula C23H17N9O8S
Exact Mass 579.09208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDH2440DQOk
Name N,8-bis(benzyl)-7-keto-6-(2,4,6-trinitrophenyl)-1$l^{4}-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-1(5),2-diene-4-carboxamide
CAS Registry Number 137577-23-2
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17N9O8S
InChI InChI=1S/C23H17N9O8S/c33-21(24-13-15-7-3-1-4-8-15)29-23-28(20-18(31(37)38)11-17(30(35)36)12-19(20)32(39)40)22(34)27(41(23)26-25-29)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,24,33)
InChIKey BOEAKHQXVRFHML-UHFFFAOYSA-N
Literature Reference Author G.L'ABBE,E.ALBRECHT,S.TOPPET
Literature Reference Citation J.HETCYCL.CHEM.,28,1619(1991)
Literature Reference DOI 10.1002/jhet.5570280627
Molecular Weight 579.503 g/mol
Solvent Unknown
Source File Reference UWCP3599