For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
#3B;2,3,6,7-TETRAHYDRO-8-METHOXY-4-(4-METHOXYPHENYL)-3-(3-METHOXYPHENYL-3-OXO-1-PHENYLPROPYL)-7-METHYL-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID LmrlUcQ89wp
InChI InChI=1S/C38H36N4O5/c1-42-37(44)35-36(41-38(42)47-4)40-34(26-13-9-6-10-14-26)32(33(39-35)27-17-21-29(46-3)22-18-27)30(24-11-7-5-8-12-24)23-31(43)25-15-19-28(45-2)20-16-25/h5-22,30,32,34,40H,23H2,1-4H3/t30-,32-,34+/m1/s1
InChIKey JWPABUAPGKXSPU-PXTZSQHASA-N
Mol Weight 628.7 g/mol
Molecular Formula C38H36N4O5
Exact Mass 628.26857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID XzpTHArYnQ
Name #3B;2,3,6,7-TETRAHYDRO-8-METHOXY-4-(4-METHOXYPHENYL)-3-(3-METHOXYPHENYL-3-OXO-1-PHENYLPROPYL)-7-METHYL-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36N4O5
InChI InChI=1S/C38H36N4O5/c1-42-37(44)35-36(41-38(42)47-4)40-34(26-13-9-6-10-14-26)32(33(39-35)27-17-21-29(46-3)22-18-27)30(24-11-7-5-8-12-24)23-31(43)25-15-19-28(45-2)20-16-25/h5-22,30,32,34,40H,23H2,1-4H3/t30-,32-,34+/m1/s1
InChIKey JWPABUAPGKXSPU-PXTZSQHASA-N
Literature Reference Author B.INSUASTY,M.RAMOS,R.MORENO,J.QUIROGA,A.SANCHEZ,M.NOGUERAS,N .HANOLD,H.MEIER
Literature Reference Citation J.HETCYCL.CHEM.,32,1229(1995)
Literature Reference DOI 10.1002/jhet.5570320423
Molecular Weight 628.728 g/mol
Solvent DMSO-D6
Source File Reference UWMK372