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{2-Phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester

View entire compound with spectra: 1 MS (GC)

{2-Phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester
SpectraBase Compound ID B0FWhTJMbZ0
InChI InChI=1S/C31H26F13N3O3/c32-26(33,27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)44)13-10-19-6-8-22(9-7-19)18-50-25(49)47-23(16-20-4-2-1-3-5-20)24(48)46-17-21-11-14-45-15-12-21/h1-9,11-12,14-15,23H,10,13,16-18H2,(H,46,48)(H,47,49)
InChIKey ACQULOXUIHGJLO-UHFFFAOYSA-N
Mol Weight 735.55 g/mol
Molecular Formula C31H26F13N3O3
Exact Mass 735.176658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrMfbBzBz3H
Name {2-Phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester
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Formula C31H26F13N3O3
InChI InChI=1S/C31H26F13N3O3/c32-26(33,27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)44)13-10-19-6-8-22(9-7-19)18-50-25(49)47-23(16-20-4-2-1-3-5-20)24(48)46-17-21-11-14-45-15-12-21/h1-9,11-12,14-15,23H,10,13,16-18H2,(H,46,48)(H,47,49)
InChIKey ACQULOXUIHGJLO-UHFFFAOYSA-N
Molecular Weight 735.546 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(NCc1ccncc1)=O)Cc1ccccc1
SPLASH splash10-0udi-0010900000-ac13a9528cffeb35d3fb
Source of Spectrum F-68-4647-0
Synonyms 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl 1-benzyl-2-oxo-2-[(4-pyridinylmethyl)amino]ethylcarbamate
Wiley ID 1572675