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METHYL-1,3,8,10-TETRACHLORO-6A,12A,12B,13-TETRAHYDRO-7,13-BIS-(4-NITROBENZOYL)-7H-PYRROLO-[2,3-B:4,5-B]-BIS-[1,4]-BENZOXAZINE-6(5AH)-CARBOXYLATE

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METHYL-1,3,8,10-TETRACHLORO-6A,12A,12B,13-TETRAHYDRO-7,13-BIS-(4-NITROBENZOYL)-7H-PYRROLO-[2,3-B:4,5-B]-BIS-[1,4]-BENZOXAZINE-6(5AH)-CARBOXYLATE
SpectraBase Compound ID 4riO0k2lUxi
InChI InChI=1S/C32H19Cl4N5O10/c1-49-32(44)39-28-27(50-22-12-16(33)11-21(36)25(22)38(28)30(43)15-4-8-19(9-5-15)41(47)48)26-31(39)51-23-13-17(34)10-20(35)24(23)37(26)29(42)14-2-6-18(7-3-14)40(45)46/h2-13,26-28,31H,1H3
InChIKey TXEVOQMWCONCKB-UHFFFAOYSA-N
Mol Weight 775.3 g/mol
Molecular Formula C32H19Cl4N5O10
Exact Mass 772.988603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PSgnqDxsrR
Name METHYL-1,3,8,10-TETRACHLORO-6A,12A,12B,13-TETRAHYDRO-7,13-BIS-(4-NITROBENZOYL)-7H-PYRROLO-[2,3-B:4,5-B]-BIS-[1,4]-BENZOXAZINE-6(5AH)-CARBOXYLATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H19Cl4N5O10
InChI InChI=1S/C32H19Cl4N5O10/c1-49-32(44)39-28-27(50-22-12-16(33)11-21(36)25(22)38(28)30(43)15-4-8-19(9-5-15)41(47)48)26-31(39)51-23-13-17(34)10-20(35)24(23)37(26)29(42)14-2-6-18(7-3-14)40(45)46/h2-13,26-28,31H,1H3
InChIKey TXEVOQMWCONCKB-UHFFFAOYSA-N
Literature Reference Author H.W.HEINE,M.G.LAPORTE,R.H.OVERBAUGH,E.A.WILLIAMS
Literature Reference Citation HETEROCYCLES,40,743(1995)
Literature Reference DOI 10.3987/COM-94-S62
Molecular Weight 775.342 g/mol
Solvent CDCl3
Source File Reference UWCP5688