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#8;2,2-DIMETHYL-PROPIONIC-ACID-4-[CARBOXY-(3-CHLORO-4,5-DIHYDRO-ISOXAZOL-5-YL)-METHYLCARBAMOYLOXYMETHYL]-2-[2-(2,5-DIOXO-2,5-DIHYDRO-PYRROL-1-YL)-ETHYLCARBAMOY
SpectraBase Compound ID KhHHpWP5Lkz
InChI InChI=1S/C25H27ClN4O10/c1-25(2,3)23(36)39-15-5-4-13(10-14(15)21(33)27-8-9-30-18(31)6-7-19(30)32)12-38-24(37)28-20(22(34)35)16-11-17(26)29-40-16/h4-7,10,16,20H,8-9,11-12H2,1-3H3,(H,27,33)(H,28,37)(H,34,35)
InChIKey GCJLZNQQXDVPBU-UHFFFAOYSA-N
Mol Weight 578.96 g/mol
Molecular Formula C25H27ClN4O10
Exact Mass 578.141571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BS6LRCW01CU
Name #8;2,2-DIMETHYL-PROPIONIC-ACID-4-[CARBOXY-(3-CHLORO-4,5-DIHYDRO-ISOXAZOL-5-YL)-METHYLCARBAMOYLOXYMETHYL]-2-[2-(2,5-DIOXO-2,5-DIHYDRO-PYRROL-1-YL)-ETHYLCARBAMOY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27ClN4O10
InChI InChI=1S/C25H27ClN4O10/c1-25(2,3)23(36)39-15-5-4-13(10-14(15)21(33)27-8-9-30-18(31)6-7-19(30)32)12-38-24(37)28-20(22(34)35)16-11-17(26)29-40-16/h4-7,10,16,20H,8-9,11-12H2,1-3H3,(H,27,33)(H,28,37)(H,34,35)
InChIKey GCJLZNQQXDVPBU-UHFFFAOYSA-N
Literature Reference Author C.ANTCZAK,B.BAUVOIS,C.MONNERET,J.C.FLORENT
Literature Reference Citation BIOORG.MED.CHEM.,9,2843(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00145-6
Molecular Weight 578.963 g/mol
Solvent CDCl3
Source File Reference UWMS22232