![(1R,2S)-N,N-Bis[4-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)methyl]benzylnorephedrine](/api/spectrum/H0MeoZVpsNu/structure.png?h=300&w=458 "(1R,2S)-N,N-Bis[4-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)methyl]benzylnorephedrine")
| SpectraBase Compound ID | DgFFrBssztS |
|---|---|
| InChI | InChI=1S/C73H47F78NO/c1-29(35(153)32-5-3-2-4-6-32)152(27-30-7-11-33(12-8-30)36(15-21-38(74,75)44(86,87)50(98,99)56(110,111)62(122,123)68(134,135)136,16-22-39(76,77)45(88,89)51(100,101)57(112,113)63(124,125)69(137,138)139)17-23-40(78,79)46(90,91)52(102,103)58(114,115)64(126,127)70(140,141)142)28-31-9-13-34(14-10-31)37(18-24-41(80,81)47(92,93)53(104,105)59(116,117)65(128,129)71(143,144)145,19-25-42(82,83)48(94,95)54(106,107)60(118,119)66(130,131)72(146,147)148)20-26-43(84,85)49(96,97)55(108,109)61(120,121)67(132,133)73(149,150)151/h2-14,29,35,153H,15-28H2,1H3/t29-,35-/m0/s1 |
| InChIKey | UYBRZTDRSNMHJC-YTWZBVJHSA-N |
| Mol Weight | 2436.1 g/mol |
| Molecular Formula | C73H47F78NO |
| Exact Mass | 2435.241212 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H0MeoZVpsNu |
|---|---|
| Name | (1R,2S)-N,N-Bis[4-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)methyl]benzylnorephedrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C73H47F78NO |
| InChI | InChI=1S/C73H47F78NO/c1-29(35(153)32-5-3-2-4-6-32)152(27-30-7-11-33(12-8-30)36(15-21-38(74,75)44(86,87)50(98,99)56(110,111)62(122,123)68(134,135)136,16-22-39(76,77)45(88,89)51(100,101)57(112,113)63(124,125)69(137,138)139)17-23-40(78,79)46(90,91)52(102,103)58(114,115)64(126,127)70(140,141)142)28-31-9-13-34(14-10-31)37(18-24-41(80,81)47(92,93)53(104,105)59(116,117)65(128,129)71(143,144)145,19-25-42(82,83)48(94,95)54(106,107)60(118,119)66(130,131)72(146,147)148)20-26-43(84,85)49(96,97)55(108,109)61(120,121)67(132,133)73(149,150)151/h2-14,29,35,153H,15-28H2,1H3/t29-,35-/m0/s1 |
| InChIKey | UYBRZTDRSNMHJC-YTWZBVJHSA-N |
| Molecular Weight | 2436.060 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)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)[H])(c1ccccc1)[H] |
| SPLASH | splash10-03di-1009000100-f442ce191fe4cf35aacd |
| Source of Spectrum | KC-57-5569-0 |
| Wiley ID | 1624751 |