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18-[2-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-ETHYL]-8,11,13-ABIETATRIENOATE

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18-[2-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-ETHYL]-8,11,13-ABIETATRIENOATE
SpectraBase Compound ID 9j2077u5GFW
InChI InChI=1S/C31H39N3O2S/c1-22(2)23-11-13-27-24(19-23)12-14-28-30(27,3)16-8-17-31(28,4)29(35)36-18-15-25-20-34(33-32-25)21-37-26-9-6-5-7-10-26/h5-7,9-11,13,19-20,22,28H,8,12,14-18,21H2,1-4H3/t28-,30-,31-/m1/s1
InChIKey MQKWBZPCRXSMMI-JJEZKPMQSA-N
Mol Weight 517.7 g/mol
Molecular Formula C31H39N3O2S
Exact Mass 517.276299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JTuoqTXZhO
Name 18-[2-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-ETHYL]-8,11,13-ABIETATRIENOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39N3O2S
InChI InChI=1S/C31H39N3O2S/c1-22(2)23-11-13-27-24(19-23)12-14-28-30(27,3)16-8-17-31(28,4)29(35)36-18-15-25-20-34(33-32-25)21-37-26-9-6-5-7-10-26/h5-7,9-11,13,19-20,22,28H,8,12,14-18,21H2,1-4H3/t28-,30-,31-/m1/s1
InChIKey MQKWBZPCRXSMMI-JJEZKPMQSA-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 517.730 g/mol
Solvent CDCl3
Source File Reference UWBT14362