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15-[4-(2-HYDROXYETHYL)-1H-1,2,3-TRIAZOL-1-YL]-IMBRICATOLIC-ACID-METHYLESTER
SpectraBase Compound ID 5NZnbaTtOjo
InChI InChI=1S/C25H41N3O3/c1-18(11-15-28-17-20(12-16-29)26-27-28)7-9-21-19(2)8-10-22-24(21,3)13-6-14-25(22,4)23(30)31-5/h17-18,21-22,29H,2,6-16H2,1,3-5H3/t18-,21+,22-,24-,25+/m1/s1
InChIKey OCVLKBMBFRURLH-NLIQIEOMSA-N
Mol Weight 431.6 g/mol
Molecular Formula C25H41N3O3
Exact Mass 431.314792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86nakvWL0K4
Name 15-[4-(2-HYDROXYETHYL)-1H-1,2,3-TRIAZOL-1-YL]-IMBRICATOLIC-ACID-METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H41N3O3
InChI InChI=1S/C25H41N3O3/c1-18(11-15-28-17-20(12-16-29)26-27-28)7-9-21-19(2)8-10-22-24(21,3)13-6-14-25(22,4)23(30)31-5/h17-18,21-22,29H,2,6-16H2,1,3-5H3/t18-,21+,22-,24-,25+/m1/s1
InChIKey OCVLKBMBFRURLH-NLIQIEOMSA-N
Literature Reference Author M.W.PERTINO,C.THEODULOZ,M.BASTIAS,G.SCHMEDA-HIRSCHMANN
Literature Reference Citation MOLECULES,18,5936(2013)
Literature Reference DOI 10.3390/molecules18055936
Molecular Weight 431.619 g/mol
Solvent CDCl3
Source File Reference UWBT9391