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18-[3-(1-PHENYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID 77uTRwDeWda
InChI InChI=1S/C31H39N3O2/c1-22(2)23-11-14-27-24(19-23)12-15-28-30(3,17-8-18-31(27,28)4)21-36-29(35)16-13-25-20-34(33-32-25)26-9-6-5-7-10-26/h5-7,9-11,14,19-20,22,28H,8,12-13,15-18,21H2,1-4H3/t28-,30-,31+/m0/s1
InChIKey RFRQPYNFIZXBDZ-LHGWWSMPSA-N
Mol Weight 485.7 g/mol
Molecular Formula C31H39N3O2
Exact Mass 485.304228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SlI0krOaoD
Name 18-[3-(1-PHENYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39N3O2
InChI InChI=1S/C31H39N3O2/c1-22(2)23-11-14-27-24(19-23)12-15-28-30(3,17-8-18-31(27,28)4)21-36-29(35)16-13-25-20-34(33-32-25)26-9-6-5-7-10-26/h5-7,9-11,14,19-20,22,28H,8,12-13,15-18,21H2,1-4H3/t28-,30-,31+/m0/s1
InChIKey RFRQPYNFIZXBDZ-LHGWWSMPSA-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 485.670 g/mol
Solvent CDCl3
Source File Reference UWBT14363