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3-(PARA-DIMETHYLAMINOPHENYL)-2-METHYL-5-PHENYLTETRAHYDROPYRROLO-[3,4-D]-ISOXAZOL-4,6-DIONE
SpectraBase Compound ID 5nEJwK5dbZs
InChI InChI=1S/2C20H21N3O3/c2*1-21(2)14-11-9-13(10-12-14)17-16-18(26-22(17)3)20(25)23(19(16)24)15-7-5-4-6-8-15/h2*4-12,16-18H,1-3H3/t2*16-,17-,18+/m10/s1
InChIKey XWUXOVCRUGPCBA-LOYLGAHKSA-N
Mol Weight 702.81 g/mol
Molecular Formula C40H42N6O6
Exact Mass 702.316583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xjKmEAEyyR
Name 3-(PARA-DIMETHYLAMINOPHENYL)-2-METHYL-5-PHENYLTETRAHYDROPYRROLO-[3,4-D]-ISOXAZOL-4,6-DIONE
Compound Number 3A-TR ANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42N6O6
InChI InChI=1S/2C20H21N3O3/c2*1-21(2)14-11-9-13(10-12-14)17-16-18(26-22(17)3)20(25)23(19(16)24)15-7-5-4-6-8-15/h2*4-12,16-18H,1-3H3/t2*16-,17-,18+/m10/s1
InChIKey XWUXOVCRUGPCBA-LOYLGAHKSA-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 702.810 g/mol
Solvent CDCl3
Source File Reference UWLU22474