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18-[5-[1-(4-ANISIDYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID KE59007Js0g
InChI InChI=1S/C34H45N3O3/c1-24(2)25-11-17-30-26(21-25)12-18-31-33(3,19-8-20-34(30,31)4)23-40-32(38)10-7-6-9-27-22-37(36-35-27)28-13-15-29(39-5)16-14-28/h11,13-17,21-22,24,31H,6-10,12,18-20,23H2,1-5H3/t31-,33-,34+/m0/s1
InChIKey LHIRCWKNAFXYDN-FZCBKRAZSA-N
Mol Weight 543.8 g/mol
Molecular Formula C34H45N3O3
Exact Mass 543.346092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9R9gvSvnVZd
Name 18-[5-[1-(4-ANISIDYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H45N3O3
InChI InChI=1S/C34H45N3O3/c1-24(2)25-11-17-30-26(21-25)12-18-31-33(3,19-8-20-34(30,31)4)23-40-32(38)10-7-6-9-27-22-37(36-35-27)28-13-15-29(39-5)16-14-28/h11,13-17,21-22,24,31H,6-10,12,18-20,23H2,1-5H3/t31-,33-,34+/m0/s1
InChIKey LHIRCWKNAFXYDN-FZCBKRAZSA-N
Literature Reference Author M.W.PERTINO,V.VERDUGO,C.THEODULOZ,G.SCHMEDA-HIRSCHMANN
Literature Reference Citation MOLECULES,19,2523(2014)
Literature Reference DOI 10.3390/molecules19022523
Molecular Weight 543.750 g/mol
Solvent CDCl3
Source File Reference UWBT14370