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18-[5-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID Fdsrtwbp6lZ
InChI InChI=1S/C34H45N3O2/c1-25(2)27-15-17-30-28(21-27)16-18-31-33(3,19-10-20-34(30,31)4)24-39-32(38)14-9-8-13-29-23-37(36-35-29)22-26-11-6-5-7-12-26/h5-7,11-12,15,17,21,23,25,31H,8-10,13-14,16,18-20,22,24H2,1-4H3/t31-,33-,34+/m0/s1
InChIKey DCBUAXYZQZQZHO-FZCBKRAZSA-N
Mol Weight 527.8 g/mol
Molecular Formula C34H45N3O2
Exact Mass 527.351178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bqAUQK7cDz
Name 18-[5-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H45N3O2
InChI InChI=1S/C34H45N3O2/c1-25(2)27-15-17-30-28(21-27)16-18-31-33(3,19-10-20-34(30,31)4)24-39-32(38)14-9-8-13-29-23-37(36-35-29)22-26-11-6-5-7-12-26/h5-7,11-12,15,17,21,23,25,31H,8-10,13-14,16,18-20,22,24H2,1-4H3/t31-,33-,34+/m0/s1
InChIKey DCBUAXYZQZQZHO-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 527.750 g/mol
Solvent CDCl3
Source File Reference UWBT14366