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3-[N-(N-TERT.-BUTOXYCARBONYL-L-ALANYL)-AMINO]-5-(N-PALMITOYLAMINO)-BENZOIC-ACID-ETHYLESTER
SpectraBase Compound ID 96zllVFv2Vg
InChI InChI=1S/C33H55N3O6/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-29(37)35-27-22-26(31(39)41-8-2)23-28(24-27)36-30(38)25(3)34-32(40)42-33(4,5)6/h22-25H,7-21H2,1-6H3,(H,34,40)(H,35,37)(H,36,38)/t25-/m0/s1
InChIKey WFJADCVCNBKHNR-VWLOTQADSA-N
Mol Weight 589.8 g/mol
Molecular Formula C33H55N3O6
Exact Mass 589.409086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ft5jr9zOM5
Name 3-[N-(N-TERT.-BUTOXYCARBONYL-L-ALANYL)-AMINO]-5-(N-PALMITOYLAMINO)-BENZOIC-ACID-ETHYLESTER
Compound Number 13B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H55N3O6
InChI InChI=1S/C33H55N3O6/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-29(37)35-27-22-26(31(39)41-8-2)23-28(24-27)36-30(38)25(3)34-32(40)42-33(4,5)6/h22-25H,7-21H2,1-6H3,(H,34,40)(H,35,37)(H,36,38)/t25-/m0/s1
InChIKey WFJADCVCNBKHNR-VWLOTQADSA-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 589.816 g/mol
Solvent DMSO-D6
Source File Reference UWVN26411