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{2-Phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester
SpectraBase Compound ID AdXWvrq3u5u
InChI InChI=1S/C33H26F17N3O3/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)13-10-19-6-8-22(9-7-19)18-56-25(55)53-23(16-20-4-2-1-3-5-20)24(54)52-17-21-11-14-51-15-12-21/h1-9,11-12,14-15,23H,10,13,16-18H2,(H,52,54)(H,53,55)
InChIKey CFKZVPMZKCACOI-UHFFFAOYSA-N
Mol Weight 835.6 g/mol
Molecular Formula C33H26F17N3O3
Exact Mass 835.17027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xHrRutuW1p
Name {2-Phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}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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Formula C33H26F17N3O3
InChI InChI=1S/C33H26F17N3O3/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)13-10-19-6-8-22(9-7-19)18-56-25(55)53-23(16-20-4-2-1-3-5-20)24(54)52-17-21-11-14-51-15-12-21/h1-9,11-12,14-15,23H,10,13,16-18H2,(H,52,54)(H,53,55)
InChIKey CFKZVPMZKCACOI-UHFFFAOYSA-N
Molecular Weight 835.562 g/mol
SMILES N(C(OCc1ccc(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)cc1)=O)C(C(NCc1ccncc1)=O)Cc1ccccc1
SPLASH splash10-0f80-0030090000-c613b6d30943d8dde9b3
Source of Spectrum F-68-4647-0
Synonyms [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl N-{2-phenyl-1-[(pyridin-4-ylmethyl)carbamoyl]ethyl}carbamate
Wiley ID 1572674