John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Tz2hWzdgJY SpectraBase Spectrum ID=HokH20ufEuO

(accessed ).
6-ACETOXY-2,7,8-TRIMETHYL-5-[(4-PHENYL-1,2,3-TRIAZOL-1-YL)-METHYL]-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN
SpectraBase Compound ID Tz2hWzdgJY
InChI InChI=1S/C39H57N3O3/c1-27(2)15-12-16-28(3)17-13-18-29(4)19-14-23-39(8)24-22-34-35(37(44-32(7)43)30(5)31(6)38(34)45-39)25-42-26-36(40-41-42)33-20-10-9-11-21-33/h9-11,20-21,26-29H,12-19,22-25H2,1-8H3
InChIKey KYPMUIHTHXBDLR-UHFFFAOYSA-N
Mol Weight 615.9 g/mol
Molecular Formula C39H57N3O3
Exact Mass 615.439993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HokH20ufEuO
Name 6-ACETOXY-2,7,8-TRIMETHYL-5-[(4-PHENYL-1,2,3-TRIAZOL-1-YL)-METHYL]-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN
Compound Number 15
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H57N3O3
InChI InChI=1S/C39H57N3O3/c1-27(2)15-12-16-28(3)17-13-18-29(4)19-14-23-39(8)24-22-34-35(37(44-32(7)43)30(5)31(6)38(34)45-39)25-42-26-36(40-41-42)33-20-10-9-11-21-33/h9-11,20-21,26-29H,12-19,22-25H2,1-8H3
InChIKey KYPMUIHTHXBDLR-UHFFFAOYSA-N
Literature Reference Author C.ADELWOEHRER,T.ROSENAU,E.KLOSER,K.MEREITER,T.NETSCHER
Literature Reference Citation EUR.J.ORG.CHEM.,2081(2006)
Literature Reference DOI 10.1002/ejoc.200500898
Molecular Weight 615.900 g/mol
Sample ID 33517
Solvent CDCl3
SpectraBase Batch ID LxgmVEIR7oA