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N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)carbamic acid [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-2-methylol-propyl] ester

View entire compound with spectra: 2 NMR

N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)carbamic acid [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-2-methylol-propyl] ester
SpectraBase Compound ID En6DOAHO8vE
InChI InChI=1S/C25H24F17N3O7/c26-18(27,19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42)6-7-43-15(49)52-12-17(10-46,11-47)45-14(48)8-44-16(50)51-9-13-4-2-1-3-5-13/h1-5,46-47H,6-12H2,(H,43,49)(H,44,50)(H,45,48)
InChIKey FXCQXQQXHVGAFC-UHFFFAOYSA-N
Mol Weight 801.45 g/mol
Molecular Formula C25H24F17N3O7
Exact Mass 801.134279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEHWWWujTKh
Name N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)carbamic acid [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-2-methylol-propyl] ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24F17N3O7
InChI InChI=1S/C25H24F17N3O7/c26-18(27,19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42)6-7-43-15(49)52-12-17(10-46,11-47)45-14(48)8-44-16(50)51-9-13-4-2-1-3-5-13/h1-5,46-47H,6-12H2,(H,43,49)(H,44,50)(H,45,48)
InChIKey FXCQXQQXHVGAFC-UHFFFAOYSA-N
Literature Reference Author O.OUARI,A.POLIDORI,B.PUCCI,P.TORDO,F.CHALIER
Literature Reference Citation J.ORG.CHEM.,64,3554(1999)
Literature Reference DOI 10.1021/jo982343+
Molecular Weight 801.454 g/mol
Sample ID 59227
Solvent CDCl3