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#16;(2R,3R,4S,5R,6R)-2-(ACETOXYMETHYL)-6-[4-[[(2R,3S,5R)-2-[[4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUOROUNDECANAMIDO)-METHYL]-1H-1,2,3-TRIAZOL-1
SpectraBase Compound ID F4gBf5n5L5r
InChI InChI=1S/C41H42F17N9O14/c1-16-10-66(33(74)60-31(16)73)27-8-23(76-14-22-12-67(64-62-22)32-30(79-20(5)71)29(78-19(4)70)28(77-18(3)69)25(81-32)15-75-17(2)68)24(80-27)13-65-11-21(61-63-65)9-59-26(72)6-7-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58/h10-12,23-25,27-30,32H,6-9,13-15H2,1-5H3,(H,59,72)(H,60,73,74)/t23-,24+,25-,27+,28-,29+,30-,32-/m0/s1
InChIKey ZELZRJRRDVSYAS-NMLPQUQISA-N
Mol Weight 1207.8 g/mol
Molecular Formula C41H42F17N9O14
Exact Mass 1207.257976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvpoWA9jeQ0
Name #16;(2R,3R,4S,5R,6R)-2-(ACETOXYMETHYL)-6-[4-[[(2R,3S,5R)-2-[[4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUOROUNDECANAMIDO)-METHYL]-1H-1,2,3-TRIAZOL-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H42F17N9O14
InChI InChI=1S/C41H42F17N9O14/c1-16-10-66(33(74)60-31(16)73)27-8-23(76-14-22-12-67(64-62-22)32-30(79-20(5)71)29(78-19(4)70)28(77-18(3)69)25(81-32)15-75-17(2)68)24(80-27)13-65-11-21(61-63-65)9-59-26(72)6-7-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58/h10-12,23-25,27-30,32H,6-9,13-15H2,1-5H3,(H,59,72)(H,60,73,74)/t23-,24+,25-,27+,28-,29+,30-,32-/m0/s1
InChIKey ZELZRJRRDVSYAS-NMLPQUQISA-N
Literature Reference Author L.LATXAGUE,A.PATWA,E.AMIGUES,P.BARTHELEMY
Literature Reference Citation MOLECULES,18,12241(2013)
Literature Reference DOI 10.3390/molecules181012241
Molecular Weight 1207.809 g/mol
Solvent CDCl3
Source File Reference UWIR9598