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3-(PARA-CHLOROPHENYL)-2-METHYL-5-PHENYLTETRAHYDROPYRROLO-[3,4-D]-ISOXAZOL-4,6-DIONE
SpectraBase Compound ID 9O1kb12LadD
InChI InChI=1S/2C18H15ClN2O3/c2*1-20-15(11-7-9-12(19)10-8-11)14-16(24-20)18(23)21(17(14)22)13-5-3-2-4-6-13/h2*2-10,14-16H,1H3/t2*14-,15-,16+/m10/s1
InChIKey ZCKSSEFXFGUBJD-CZBDRIOMSA-N
Mol Weight 685.56 g/mol
Molecular Formula C36H30Cl2N4O6
Exact Mass 684.15424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eo9CWhtPChW
Name 3-(PARA-CHLOROPHENYL)-2-METHYL-5-PHENYLTETRAHYDROPYRROLO-[3,4-D]-ISOXAZOL-4,6-DIONE
Compound Number 3D-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30Cl2N4O6
InChI InChI=1S/2C18H15ClN2O3/c2*1-20-15(11-7-9-12(19)10-8-11)14-16(24-20)18(23)21(17(14)22)13-5-3-2-4-6-13/h2*2-10,14-16H,1H3/t2*14-,15-,16+/m10/s1
InChIKey ZCKSSEFXFGUBJD-CZBDRIOMSA-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 685.563 g/mol
Solvent CDCl3
Source File Reference UWLU22480