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#16;TERT.-BUTYL-6-[[(E)-1,1-DICHLORO-4-[(4-ETHOXYPHENYL)-AMINO]-3-NITRO-4-(1H-1,2,4-TRIAZOL-1-YL)-BUTA-1,3-DIEN-2-YL]-AMINO]-3-AZA-BICYCLO-[3.1.0]-HEXANE-3-CAR

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#16;TERT.-BUTYL-6-[[(E)-1,1-DICHLORO-4-[(4-ETHOXYPHENYL)-AMINO]-3-NITRO-4-(1H-1,2,4-TRIAZOL-1-YL)-BUTA-1,3-DIEN-2-YL]-AMINO]-3-AZA-BICYCLO-[3.1.0]-HEXANE-3-CAR
SpectraBase Compound ID FFYNCg2iEH6
InChI InChI=1S/C24H29Cl2N7O5/c1-5-37-15-8-6-14(7-9-15)29-22(32-13-27-12-28-32)20(33(35)36)19(21(25)26)30-18-16-10-31(11-17(16)18)23(34)38-24(2,3)4/h6-9,12-13,16-18,29-30H,5,10-11H2,1-4H3/b22-20+/t16-,17+,18+
InChIKey FTRNXRSQZLPKIX-KFLYOJFVSA-N
Mol Weight 566.45 g/mol
Molecular Formula C24H29Cl2N7O5
Exact Mass 565.160722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqbNR8m01hc
Name #16;TERT.-BUTYL-6-[[(E)-1,1-DICHLORO-4-[(4-ETHOXYPHENYL)-AMINO]-3-NITRO-4-(1H-1,2,4-TRIAZOL-1-YL)-BUTA-1,3-DIEN-2-YL]-AMINO]-3-AZA-BICYCLO-[3.1.0]-HEXANE-3-CAR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29Cl2N7O5
InChI InChI=1S/C24H29Cl2N7O5/c1-5-37-15-8-6-14(7-9-15)29-22(32-13-27-12-28-32)20(33(35)36)19(21(25)26)30-18-16-10-31(11-17(16)18)23(34)38-24(2,3)4/h6-9,12-13,16-18,29-30H,5,10-11H2,1-4H3/b22-20+/t16-,17+,18+
InChIKey FTRNXRSQZLPKIX-KFLYOJFVSA-N
Literature Reference Author V.A.ZAPOLSKII,J.C.NAMYSLO,A.D.MEIJERE,D.E.KAUFMANN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,621(2012)
Literature Reference DOI 10.3762/bjoc.8.69
Molecular Weight 566.444 g/mol
Solvent ACETONE-D6
Source File Reference UWIR10456