![2-(4'-{tris[(2"-(Perfluorohexyl)ethyl]silyl}benzyl)-oxycarbonyl]amino)-benzoic acid](/api/spectrum/8sNiwW4SfF/structure.png?h=300&w=458 "2-(4'-{tris[(2\"-(Perfluorohexyl)ethyl]silyl}benzyl)-oxycarbonyl]amino)-benzoic acid")
| SpectraBase Compound ID | C5EMdVwwaoN |
|---|---|
| InChI | InChI=1S/C39H24F39NO4Si/c40-22(41,25(46,47)28(52,53)31(58,59)34(64,65)37(70,71)72)9-12-84(13-10-23(42,43)26(48,49)29(54,55)32(60,61)35(66,67)38(73,74)75,14-11-24(44,45)27(50,51)30(56,57)33(62,63)36(68,69)39(76,77)78)17-7-5-16(6-8-17)15-83-21(82)79-19-4-2-1-3-18(19)20(80)81/h1-8H,9-15H2,(H,79,82)(H,80,81) |
| InChIKey | KLLQIIYUAIIGJR-UHFFFAOYSA-N |
| Mol Weight | 1339.6 g/mol |
| Molecular Formula | C39H24F39NO4Si |
| Exact Mass | 1339.085183 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8sNiwW4SfF |
|---|---|
| Name | 2-(4'-{tris[(2"-(Perfluorohexyl)ethyl]silyl}benzyl)-oxycarbonyl]amino)-benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H24F39NO4Si |
| InChI | InChI=1S/C39H24F39NO4Si/c40-22(41,25(46,47)28(52,53)31(58,59)34(64,65)37(70,71)72)9-12-84(13-10-23(42,43)26(48,49)29(54,55)32(60,61)35(66,67)38(73,74)75,14-11-24(44,45)27(50,51)30(56,57)33(62,63)36(68,69)39(76,77)78)17-7-5-16(6-8-17)15-83-21(82)79-19-4-2-1-3-18(19)20(80)81/h1-8H,9-15H2,(H,79,82)(H,80,81) |
| InChIKey | KLLQIIYUAIIGJR-UHFFFAOYSA-N |
| Molecular Weight | 1339.647 g/mol |
| SMILES | N(c1c(C(=O)O)cccc1)C(OCc1ccc([Si](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)=O |
| SPLASH | splash10-002k-0968000000-c3e364d221fcf643f787 |
| Source of Spectrum | H-85-262-13 |
| Wiley ID | 1523907 |