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

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5A-CARBOMETHOXY-1,3,8,10-TETRACHLORO-5A,6,6A,12A,12B,13-HEXAHYDRO-6-METHYL-7,13-BIS-(4-NITROBENZOYL)-7H-PYRROLO-[2,3-B:4,5-B]-BIS-[1,4]-BENZOXAZINE
SpectraBase Compound ID 9dPSv6iYMff
InChI InChI=1S/C33H21Cl4N5O10/c1-38-29-27(51-23-13-17(34)11-21(36)25(23)40(29)31(44)16-5-9-20(10-6-16)42(48)49)28-33(38,32(45)50-2)52-24-14-18(35)12-22(37)26(24)39(28)30(43)15-3-7-19(8-4-15)41(46)47/h3-14,27-29H,1-2H3
InChIKey FKGBKQOCRGGYFD-UHFFFAOYSA-N
Mol Weight 789.4 g/mol
Molecular Formula C33H21Cl4N5O10
Exact Mass 787.004253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZbBOnMGUFx
Name 5A-CARBOMETHOXY-1,3,8,10-TETRACHLORO-5A,6,6A,12A,12B,13-HEXAHYDRO-6-METHYL-7,13-BIS-(4-NITROBENZOYL)-7H-PYRROLO-[2,3-B:4,5-B]-BIS-[1,4]-BENZOXAZINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H21Cl4N5O10
InChI InChI=1S/C33H21Cl4N5O10/c1-38-29-27(51-23-13-17(34)11-21(36)25(23)40(29)31(44)16-5-9-20(10-6-16)42(48)49)28-33(38,32(45)50-2)52-24-14-18(35)12-22(37)26(24)39(28)30(43)15-3-7-19(8-4-15)41(46)47/h3-14,27-29H,1-2H3
InChIKey FKGBKQOCRGGYFD-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 789.369 g/mol
Solvent CDCl3
Source File Reference UWCP5690