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3-(N-TERT.-BUTOXYCARBONYLAMINO)-5-(N-HEXADECANOYLAMINO)-BENZOIC-ACID-ETHYLESTER
SpectraBase Compound ID Jj0KgNuCCcv
InChI InChI=1S/C30H50N2O5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27(33)31-25-21-24(28(34)36-7-2)22-26(23-25)32-29(35)37-30(3,4)5/h21-23H,6-20H2,1-5H3,(H,31,33)(H,32,35)
InChIKey OAPXARQUTTVUER-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C30H50N2O5
Exact Mass 518.371973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyfWne3YQQv
Name 3-(N-TERT.-BUTOXYCARBONYLAMINO)-5-(N-HEXADECANOYLAMINO)-BENZOIC-ACID-ETHYLESTER
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50N2O5
InChI InChI=1S/C30H50N2O5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27(33)31-25-21-24(28(34)36-7-2)22-26(23-25)32-29(35)37-30(3,4)5/h21-23H,6-20H2,1-5H3,(H,31,33)(H,32,35)
InChIKey OAPXARQUTTVUER-UHFFFAOYSA-N
Literature Reference Author H.ISHIDA,Z.QI,M.SOKABE,K.DONOWAKI,Y.INOUE
Literature Reference Citation J.ORG.CHEM.,66,2978(2001)
Literature Reference DOI 10.1021/jo001079t
Molecular Weight 518.737 g/mol
Solvent CDCl3
Source File Reference UWVN26409