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1-Benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester
SpectraBase Compound ID 3gZyZkjDb7J
InChI InChI=1S/C34H29F13N2O3/c35-29(36,30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47)16-14-21-10-12-23(13-11-21)20-52-28(51)48-26(18-22-6-2-1-3-7-22)27(50)49-17-15-24-8-4-5-9-25(24)19-49/h1-13,26H,14-20H2,(H,48,51)
InChIKey GXHLOKINUGPGOL-UHFFFAOYSA-N
Mol Weight 760.6 g/mol
Molecular Formula C34H29F13N2O3
Exact Mass 760.197059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7esxKRbRgp
Name 1-Benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H29F13N2O3
InChI InChI=1S/C34H29F13N2O3/c35-29(36,30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47)16-14-21-10-12-23(13-11-21)20-52-28(51)48-26(18-22-6-2-1-3-7-22)27(50)49-17-15-24-8-4-5-9-25(24)19-49/h1-13,26H,14-20H2,(H,48,51)
InChIKey GXHLOKINUGPGOL-UHFFFAOYSA-N
Molecular Weight 760.596 g/mol
SMILES N(C(C(N1Cc2ccccc2CC1)=O)Cc1ccccc1)C(OCc1ccc(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc1)=O
SPLASH splash10-0019-0700900000-ad964479caa0562bd596
Source of Spectrum F-68-4646-0
Wiley ID 1572679