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L-VALINE-3-[8-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER
SpectraBase Compound ID CIlHmDzVky9
InChI InChI=1S/C26H31N5O5/c1-6-13-31-24(32)22-23(30(26(31)34)14-8-15-36-25(33)21(27)17(2)3)28-20(29(22)4)12-11-18-9-7-10-19(16-18)35-5/h1,7,9-12,16-17,21H,8,13-15,27H2,2-5H3/b12-11+/t21-/m0/s1
InChIKey IXYOPUQCQKDAGR-VIOKTNGOSA-N
Mol Weight 493.56 g/mol
Molecular Formula C26H31N5O5
Exact Mass 493.232519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1V19RkRNtCH
Name L-VALINE-3-[8-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31N5O5
InChI InChI=1S/C26H31N5O5/c1-6-13-31-24(32)22-23(30(26(31)34)14-8-15-36-25(33)21(27)17(2)3)28-20(29(22)4)12-11-18-9-7-10-19(16-18)35-5/h1,7,9-12,16-17,21H,8,13-15,27H2,2-5H3/b12-11+/t21-/m0/s1
InChIKey IXYOPUQCQKDAGR-VIOKTNGOSA-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 493.563 g/mol
Sample ID 38502
Solvent CDCl3