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18-[3-[1-(4-TOLUENESULFONYL)-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID LThNrg3WkX7
InChI InChI=1S/C32H41N3O4S/c1-22(2)24-9-14-28-25(19-24)10-15-29-31(4,17-6-18-32(28,29)5)21-39-30(36)16-11-26-20-35(34-33-26)40(37,38)27-12-7-23(3)8-13-27/h7-9,12-14,19-20,22,29H,6,10-11,15-18,21H2,1-5H3/t29-,31-,32+/m0/s1
InChIKey INAGRLHLUYUMME-RUHGTMQNSA-N
Mol Weight 563.8 g/mol
Molecular Formula C32H41N3O4S
Exact Mass 563.281778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDv6qcdcwa9
Name 18-[3-[1-(4-TOLUENESULFONYL)-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H41N3O4S
InChI InChI=1S/C32H41N3O4S/c1-22(2)24-9-14-28-25(19-24)10-15-29-31(4,17-6-18-32(28,29)5)21-39-30(36)16-11-26-20-35(34-33-26)40(37,38)27-12-7-23(3)8-13-27/h7-9,12-14,19-20,22,29H,6,10-11,15-18,21H2,1-5H3/t29-,31-,32+/m0/s1
InChIKey INAGRLHLUYUMME-RUHGTMQNSA-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 563.755 g/mol
Solvent CDCl3
Source File Reference UWBT14373