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1-Benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl ester

View entire compound with spectra: 1 MS (GC)

1-Benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]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 AG60EO58L2x
InChI InChI=1S/C36H29F17N2O3/c37-29(38,30(39,40)31(41,42)32(43,44)33(45,46)34(47,48)35(49,50)36(51,52)53)16-14-21-10-12-23(13-11-21)20-58-28(57)54-26(18-22-6-2-1-3-7-22)27(56)55-17-15-24-8-4-5-9-25(24)19-55/h1-13,26H,14-20H2,(H,54,57)
InChIKey LHGSSQOPIFTGKA-UHFFFAOYSA-N
Mol Weight 860.6 g/mol
Molecular Formula C36H29F17N2O3
Exact Mass 860.190672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEu63sI85BF
Name 1-Benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]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 C36H29F17N2O3
InChI InChI=1S/C36H29F17N2O3/c37-29(38,30(39,40)31(41,42)32(43,44)33(45,46)34(47,48)35(49,50)36(51,52)53)16-14-21-10-12-23(13-11-21)20-58-28(57)54-26(18-22-6-2-1-3-7-22)27(56)55-17-15-24-8-4-5-9-25(24)19-55/h1-13,26H,14-20H2,(H,54,57)
InChIKey LHGSSQOPIFTGKA-UHFFFAOYSA-N
Molecular Weight 860.612 g/mol
SMILES N(C(C(N1Cc2ccccc2CC1)=O)Cc1ccccc1)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
SPLASH splash10-000i-0900330000-b6d1aa88f7d9255fddf4
Source of Spectrum F-68-4646-0
Wiley ID 1572678