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(1R,2S)-N-[4-Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)methyl]benzylephedrine

View entire compound with spectra: 1 MS (GC)

(1R,2S)-N-[4-Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)methyl]benzylephedrine
SpectraBase Compound ID GPffwWOIWU4
InChI InChI=1S/C42H32F39NO/c1-19(23(83)21-6-4-3-5-7-21)82(2)18-20-8-10-22(11-9-20)24(12-15-25(43,44)28(49,50)31(55,56)34(61,62)37(67,68)40(73,74)75,13-16-26(45,46)29(51,52)32(57,58)35(63,64)38(69,70)41(76,77)78)14-17-27(47,48)30(53,54)33(59,60)36(65,66)39(71,72)42(79,80)81/h3-11,19,23,83H,12-18H2,1-2H3/t19-,23-/m0/s1
InChIKey AZMQNAVWSNEMSC-CVDCTZTESA-N
Mol Weight 1307.7 g/mol
Molecular Formula C42H32F39NO
Exact Mass 1307.186113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBzsosMYbXv
Name (1R,2S)-N-[4-Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)methyl]benzylephedrine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H32F39NO
InChI InChI=1S/C42H32F39NO/c1-19(23(83)21-6-4-3-5-7-21)82(2)18-20-8-10-22(11-9-20)24(12-15-25(43,44)28(49,50)31(55,56)34(61,62)37(67,68)40(73,74)75,13-16-26(45,46)29(51,52)32(57,58)35(63,64)38(69,70)41(76,77)78)14-17-27(47,48)30(53,54)33(59,60)36(65,66)39(71,72)42(79,80)81/h3-11,19,23,83H,12-18H2,1-2H3/t19-,23-/m0/s1
InChIKey AZMQNAVWSNEMSC-CVDCTZTESA-N
Molecular Weight 1307.662 g/mol
SMILES O[C@@]([C@@](N(Cc1ccc(C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc1)C)(C)[H])(c1ccccc1)[H]
SPLASH splash10-0udi-1190000000-0d30fb3fac33a0cbbf75
Source of Spectrum KC-57-5569-1
Synonyms (1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-yl]phenyl]methyl-methylamino]-1-phenyl-1-propanol (1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-yl]phenyl]methyl-methylamino]-1-phenylpropan-1-ol (1R,2S)-2-[methyl-[[4-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1,1-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)nonyl]phenyl]methyl]amino]-1-phenyl-propan-1-ol (1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosakis(fluoranyl)-9-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]heptadecan-9-yl]phenyl]methyl-methyl-amino]-1-phenyl-propan-1-ol
Wiley ID 1624753