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3-AMINO-5-(N-HEXADECANOYLAMINO)-BENZOIC-ACID-ETHYLESTER
SpectraBase Compound ID IUhU2cd3kYJ
InChI InChI=1S/C25H42N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-23-19-21(18-22(26)20-23)25(29)30-4-2/h18-20H,3-17,26H2,1-2H3,(H,27,28)
InChIKey QCBMEUQIKWPQRA-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H42N2O3
Exact Mass 418.319543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ujGALN8B2S
Name 3-AMINO-5-(N-HEXADECANOYLAMINO)-BENZOIC-ACID-ETHYLESTER
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42N2O3
InChI InChI=1S/C25H42N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-23-19-21(18-22(26)20-23)25(29)30-4-2/h18-20H,3-17,26H2,1-2H3,(H,27,28)
InChIKey QCBMEUQIKWPQRA-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 418.620 g/mol
Solvent CDCl3
Source File Reference UWVN26410