John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AG3iPbXu1u2 SpectraBase Spectrum ID=10mjKkTleCS

(accessed ).
18-[3-[1-(3-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID AG3iPbXu1u2
InChI InChI=1S/C31H38ClN3O2/c1-21(2)22-9-12-27-23(17-22)10-13-28-30(3,15-6-16-31(27,28)4)20-37-29(36)14-11-25-19-35(34-33-25)26-8-5-7-24(32)18-26/h5,7-9,12,17-19,21,28H,6,10-11,13-16,20H2,1-4H3/t28-,30-,31+/m0/s1
InChIKey YUBDZOARGVETDC-LHGWWSMPSA-N
Mol Weight 520.1 g/mol
Molecular Formula C31H38ClN3O2
Exact Mass 519.265255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10mjKkTleCS
Name 18-[3-[1-(3-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 13
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38ClN3O2
InChI InChI=1S/C31H38ClN3O2/c1-21(2)22-9-12-27-23(17-22)10-13-28-30(3,15-6-16-31(27,28)4)20-37-29(36)14-11-25-19-35(34-33-25)26-8-5-7-24(32)18-26/h5,7-9,12,17-19,21,28H,6,10-11,13-16,20H2,1-4H3/t28-,30-,31+/m0/s1
InChIKey YUBDZOARGVETDC-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 520.115 g/mol
Solvent CDCl3
Source File Reference UWBT14371
SpectraBase Batch ID 7LtAtsx2OV8