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2,5-DIMETHYL-3-(PARA-NITROPHENYL)-TETRAHYDROPYRROLO-[3,4-D]-ISOXAZOL-4,6-DIONE
SpectraBase Compound ID 486jYAkchBW
InChI InChI=1S/2C13H13N3O5/c2*1-14-12(17)9-10(15(2)21-11(9)13(14)18)7-3-5-8(6-4-7)16(19)20/h2*3-6,9-11H,1-2H3/t2*9-,10-,11+/m10/s1
InChIKey NMTDOAQKYBAUNI-WYDXRQDBSA-N
Mol Weight 582.53 g/mol
Molecular Formula C26H26N6O10
Exact Mass 582.171041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JQVl9lXgtL
Name 2,5-DIMETHYL-3-(PARA-NITROPHENYL)-TETRAHYDROPYRROLO-[3,4-D]-ISOXAZOL-4,6-DIONE
Compound Number 3H-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N6O10
InChI InChI=1S/2C13H13N3O5/c2*1-14-12(17)9-10(15(2)21-11(9)13(14)18)7-3-5-8(6-4-7)16(19)20/h2*3-6,9-11H,1-2H3/t2*9-,10-,11+/m10/s1
InChIKey NMTDOAQKYBAUNI-WYDXRQDBSA-N
Literature Reference Author K.PIHLAJA,P.TAEHTINEN,R.SHAKHUTDINOV,H.HARTIKAINEN,V.OVCHARE NKO,H.AGIRBAS,S.GUEN
Literature Reference Citation J.HETCYCL.CHEM.,41,741(2004)
Literature Reference DOI 10.1002/jhet.5570410515
Molecular Weight 582.527 g/mol
Solvent CDCl3
Source File Reference UWLU22486