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(1-Cyclohexylcarbamoyl-2-phenylethyl)carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester
SpectraBase Compound ID KbQbFMN5Gc3
InChI InChI=1S/C31H31F13N2O3/c32-26(33,27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)44)16-15-19-11-13-21(14-12-19)18-49-25(48)46-23(17-20-7-3-1-4-8-20)24(47)45-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2,(H,45,47)(H,46,48)
InChIKey FDRDPDCKSLIWTA-UHFFFAOYSA-N
Mol Weight 726.58 g/mol
Molecular Formula C31H31F13N2O3
Exact Mass 726.212709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GVUvw8ZyAg
Name (1-Cyclohexylcarbamoyl-2-phenylethyl)carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester
Alternate Name(s) 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl 1-benzyl-2-(cyclohexylamino)-2-oxoethylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31F13N2O3
InChI InChI=1S/C31H31F13N2O3/c32-26(33,27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)44)16-15-19-11-13-21(14-12-19)18-49-25(48)46-23(17-20-7-3-1-4-8-20)24(47)45-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2,(H,45,47)(H,46,48)
InChIKey FDRDPDCKSLIWTA-UHFFFAOYSA-N
Molecular Weight 726.579 g/mol
SMILES N(C(=O)OCc1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(NC1CCCCC1)=O)Cc1ccccc1
SPLASH splash10-000i-0430920000-070b4dd4ac615dff6e9f
Source of Spectrum F-68-4646-0
Wiley ID 1572677