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METHYL-15-CROWN-5-3,4,5,-TRIS-(N-9,9,10,10,11,11,12,12,12-NONAFLUORODODECAN-1-YLOXY)-BENZOATE;12F8-AG-15C5

View entire compound with spectra: 2 NMR

METHYL-15-CROWN-5-3,4,5,-TRIS-(N-9,9,10,10,11,11,12,12,12-NONAFLUORODODECAN-1-YLOXY)-BENZOATE;12F8-AG-15C5
SpectraBase Compound ID 9uK2nIWcWdj
InChI InChI=1S/C54H71F27O10/c55-43(56,46(61,62)49(67,68)52(73,74)75)19-13-7-1-4-10-16-22-88-39-33-37(42(82)91-36-38-35-86-30-29-84-26-25-83-27-28-85-31-32-87-38)34-40(89-23-17-11-5-2-8-14-20-44(57,58)47(63,64)50(69,70)53(76,77)78)41(39)90-24-18-12-6-3-9-15-21-45(59,60)48(65,66)51(71,72)54(79,80)81/h33-34,38H,1-32,35-36H2
InChIKey XXNMBPOULCGLOX-UHFFFAOYSA-N
Mol Weight 1393.1 g/mol
Molecular Formula C54H71F27O10
Exact Mass 1392.461609 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEztB8N6hPJ
Name METHYL-15-CROWN-5-3,4,5,-TRIS-(N-9,9,10,10,11,11,12,12,12-NONAFLUORODODECAN-1-YLOXY)-BENZOATE;12F8-AG-15C5
Compound Number 4-8/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H71F27O10
InChI InChI=1S/C54H71F27O10/c55-43(56,46(61,62)49(67,68)52(73,74)75)19-13-7-1-4-10-16-22-88-39-33-37(42(82)91-36-38-35-86-30-29-84-26-25-83-27-28-85-31-32-87-38)34-40(89-23-17-11-5-2-8-14-20-44(57,58)47(63,64)50(69,70)53(76,77)78)41(39)90-24-18-12-6-3-9-15-21-45(59,60)48(65,66)51(71,72)54(79,80)81/h33-34,38H,1-32,35-36H2
InChIKey XXNMBPOULCGLOX-UHFFFAOYSA-N
Literature Reference Author V.PERCEC,G.JOHANSSON,G.UNGAR,J.ZHOU
Literature Reference Citation J.AM.CHEM.SOC.,118,9855(1996)
Literature Reference DOI 10.1021/ja9615738
Solvent CDCl3
Source File Reference UWLU54556