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(1-Cyclohexylcarbamoyl-2-phenylethyl)carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester

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(1-Cyclohexylcarbamoyl-2-phenylethyl)carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester
SpectraBase Compound ID DSWxfRqX469
InChI InChI=1S/C33H31F17N2O3/c34-26(35,27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)50)16-15-19-11-13-21(14-12-19)18-55-25(54)52-23(17-20-7-3-1-4-8-20)24(53)51-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2,(H,51,53)(H,52,54)
InChIKey FAGMIWIMVRXNDK-UHFFFAOYSA-N
Mol Weight 826.6 g/mol
Molecular Formula C33H31F17N2O3
Exact Mass 826.206322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44bYWmBwMU2
Name (1-Cyclohexylcarbamoyl-2-phenylethyl)carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 826.206321634 u
Formula C33H31F17N2O3
InChI InChI=1S/C33H31F17N2O3/c34-26(35,27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)50)16-15-19-11-13-21(14-12-19)18-55-25(54)52-23(17-20-7-3-1-4-8-20)24(53)51-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2,(H,51,53)(H,52,54)
InChIKey FAGMIWIMVRXNDK-UHFFFAOYSA-N
Molecular Weight 826.595 g/mol
SMILES C(NC(CC=1C=CC=CC1)C(NC1CCCCC1)=O)(=O)OCC=1C=CC(=CC1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F