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(4R,11bR)-3-(cyclododecylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one

View entire compound with spectra: 1 NMR

(4R,11bR)-3-(cyclododecylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one
SpectraBase Compound ID BVsW7NJK5fC
InChI InChI=1S/C32H42N4O5/c1-40-29-20-24-18-19-34-28(27(24)21-30(29)41-2)22-31(37)35(32(34)23-14-16-26(17-15-23)36(38)39)33-25-12-10-8-6-4-3-5-7-9-11-13-25/h14-17,20-21,28,32H,3-13,18-19,22H2,1-2H3/t28-,32-/m1/s1
InChIKey LIEKBDBAJTUPNY-AKGWNBJDSA-N
Mol Weight 562.7 g/mol
Molecular Formula C32H42N4O5
Exact Mass 562.31552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54BlJJiXJhp
Name (4R,11bR)-3-(cyclododecylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42N4O5
InChI InChI=1S/C32H42N4O5/c1-40-29-20-24-18-19-34-28(27(24)21-30(29)41-2)22-31(37)35(32(34)23-14-16-26(17-15-23)36(38)39)33-25-12-10-8-6-4-3-5-7-9-11-13-25/h14-17,20-21,28,32H,3-13,18-19,22H2,1-2H3/t28-,32-/m1/s1
InChIKey LIEKBDBAJTUPNY-AKGWNBJDSA-N
Literature Reference Author F.FUELOEP,E.SEMEGA,G.BERNATH,P.SOHAR
Literature Reference Citation J.HETCYCL.CHEM.,27,957(1990)
Literature Reference DOI 10.1002/jhet.5570270425
Molecular Weight 562.709 g/mol
Solvent CDCl3
Source File Reference UWCP3093