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ETHYL-1-[[6-ACETOXY-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-5-YL]-METHYL]-1H-1,2,3-TRIAZOLE-5-CARBOXYLATE
SpectraBase Compound ID LvQaiO2W0i2
InChI InChI=1S/C36H57N3O5/c1-10-42-35(41)32-22-37-38-39(32)23-31-30-19-21-36(9,44-34(30)28(7)27(6)33(31)43-29(8)40)20-13-18-26(5)17-12-16-25(4)15-11-14-24(2)3/h22,24-26H,10-21,23H2,1-9H3
InChIKey XTOQWDASFCLZCH-UHFFFAOYSA-N
Mol Weight 611.9 g/mol
Molecular Formula C36H57N3O5
Exact Mass 611.429822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HM8pCcWPv9E
Name ETHYL-1-[[6-ACETOXY-2,7,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-CHROMAN-5-YL]-METHYL]-1H-1,2,3-TRIAZOLE-5-CARBOXYLATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H57N3O5
InChI InChI=1S/C36H57N3O5/c1-10-42-35(41)32-22-37-38-39(32)23-31-30-19-21-36(9,44-34(30)28(7)27(6)33(31)43-29(8)40)20-13-18-26(5)17-12-16-25(4)15-11-14-24(2)3/h22,24-26H,10-21,23H2,1-9H3
InChIKey XTOQWDASFCLZCH-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 611.866 g/mol
Sample ID 33520
Solvent CDCl3