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15-[4-(2-CARBOXYETHYL)-1H-1,2,3-TRIAZOL-1-YL]-IMBRICATOLIC-ACID-METHYLESTER
SpectraBase Compound ID 3Dr8JsJG27X
InChI InChI=1S/C26H41N3O4/c1-18(13-16-29-17-20(27-28-29)9-12-23(30)31)7-10-21-19(2)8-11-22-25(21,3)14-6-15-26(22,4)24(32)33-5/h17-18,21-22H,2,6-16H2,1,3-5H3,(H,30,31)/t18-,21+,22-,25-,26+/m1/s1
InChIKey OPVCYIPHNUXWMS-RVQVOEDGSA-N
Mol Weight 459.6 g/mol
Molecular Formula C26H41N3O4
Exact Mass 459.309707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiP4zk5KyTF
Name 15-[4-(2-CARBOXYETHYL)-1H-1,2,3-TRIAZOL-1-YL]-IMBRICATOLIC-ACID-METHYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H41N3O4
InChI InChI=1S/C26H41N3O4/c1-18(13-16-29-17-20(27-28-29)9-12-23(30)31)7-10-21-19(2)8-11-22-25(21,3)14-6-15-26(22,4)24(32)33-5/h17-18,21-22H,2,6-16H2,1,3-5H3,(H,30,31)/t18-,21+,22-,25-,26+/m1/s1
InChIKey OPVCYIPHNUXWMS-RVQVOEDGSA-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 459.629 g/mol
Solvent CDCl3
Source File Reference UWBT9392