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[N-TERT.-BUTOXYCARBONYL-L-VALINE]-3-[8-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER
SpectraBase Compound ID 5hGWchQj7hA
InChI InChI=1S/C31H39N5O7/c1-9-16-36-27(37)25-26(32-23(34(25)7)15-14-21-12-10-13-22(19-21)41-8)35(30(36)40)17-11-18-42-28(38)24(20(2)3)33-29(39)43-31(4,5)6/h1,10,12-15,19-20,24H,11,16-18H2,2-8H3,(H,33,39)/b15-14+/t24-/m0/s1
InChIKey RJYMTQQIPLAFOF-ZXYASIKESA-N
Mol Weight 593.7 g/mol
Molecular Formula C31H39N5O7
Exact Mass 593.284949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq9S2gMGCN5
Name [N-TERT.-BUTOXYCARBONYL-L-VALINE]-3-[8-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39N5O7
InChI InChI=1S/C31H39N5O7/c1-9-16-36-27(37)25-26(32-23(34(25)7)15-14-21-12-10-13-22(19-21)41-8)35(30(36)40)17-11-18-42-28(38)24(20(2)3)33-29(39)43-31(4,5)6/h1,10,12-15,19-20,24H,11,16-18H2,2-8H3,(H,33,39)/b15-14+/t24-/m0/s1
InChIKey RJYMTQQIPLAFOF-ZXYASIKESA-N
Literature Reference Author K.VOLLMANN,R.QURISHI,J.HOCKEMEYER,C.E.MUELLER
Literature Reference Citation MOLECULES,13,348(2008)
Literature Reference DOI 10.3390/molecules13020348
Molecular Weight 593.680 g/mol
Sample ID 38501
Solvent CDCl3