1-[N-(tert-Butoxycarbonyl)-N-propylaminomethyl]-4-[2-(uneicosafluorodecyl)ethenyl)benzene

SpectraBase Compound ID	5gjwLniC6a7
InChI	InChI=1S/C27H24F21NO2/c1-5-12-49(16(50)51-17(2,3)4)13-15-8-6-14(7-9-15)10-11-18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)24(40,41)25(42,43)26(44,45)27(46,47)48/h6-11H,5,12-13H2,1-4H3/b11-10+
InChIKey	YYQJYWCAFOYJGR-ZHACJKMWSA-N Google Search
Mol Weight	793.46 g/mol
Molecular Formula	C27H24F21NO2
Exact Mass	793.14717 g/mol

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SpectraBase Spectrum ID	2K5RErammbp
Name	1-[N-(tert-Butoxycarbonyl)-N-propylaminomethyl]-4-[2-(uneicosafluorodecyl)ethenyl)benzene
Alternate Name(s)	N-[[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododec-1-enyl]phenyl]methyl]-N-propylcarbamic acid tert-butyl ester tert-butyl N-[[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-enyl]phenyl]methyl]-N-propylcarbamate tert-butyl N-[[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-enyl]phenyl]methyl]-N-propyl-carbamate tert-butyl N-[[4-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosakis(fluoranyl)dodec-1-enyl]phenyl]methyl]-N-propyl-carbamate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H24F21NO2
InChI	InChI=1S/C27H24F21NO2/c1-5-12-49(16(50)51-17(2,3)4)13-15-8-6-14(7-9-15)10-11-18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)24(40,41)25(42,43)26(44,45)27(46,47)48/h6-11H,5,12-13H2,1-4H3/b11-10+
InChIKey	YYQJYWCAFOYJGR-ZHACJKMWSA-N
Molecular Weight	793.460 g/mol
SMILES	C(C(C(C(C(C(\C=C\c1ccc(CN(C(OC(C)(C)C)=O)CCC)cc1)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH	splash10-000i-0000009000-8f250a99909762dda9c2
Source of Spectrum	F-70-3413-5
Wiley ID	1596804