| SpectraBase Compound ID | FfDT3oAEFXg |
|---|---|
| InChI | InChI=1S/C83H98F3N5O15S13/c1-18-103-73(95)53-60-66(115-78(10,11)109-60)56(67-61(53)110-79(12,13)116-67)82(97,57-68-62(111-80(14,15)117-68)54(74(96)104-19-2)63-69(57)118-81(16,17)112-63)55-64-58(107-76(6,7)113-64)52(59-65(55)114-77(8,9)108-59)71(93)88-32-34-100-35-36-101-37-38-102-42-51(92)90-48-39-43(27-30-50(48)105-33-22-25-46-29-28-44-23-21-31-87-70(44)89-46)40-49(72(94)106-75(3,4)5)91-119(98,99)47-26-20-24-45(41-47)83(84,85)86/h20,24,26-30,39,41,49,91,97H,18-19,21-23,25,31-38,40,42H2,1-17H3,(H,87,89)(H,88,93)(H,90,92)/t49-/m0/s1 |
| InChIKey | IHCJABWDAAHYSG-GGCSAXROSA-N |
| Mol Weight | 1879.5 g/mol |
| Molecular Formula | C83H98F3N5O15S13 |
| Exact Mass | 1877.338077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CB5csRU9g0U |
|---|---|
| Name | IHCJABWDAAHYSG-GGCSAXROSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H98F3N5O15S13 |
| InChI | InChI=1S/C83H98F3N5O15S13/c1-18-103-73(95)53-60-66(115-78(10,11)109-60)56(67-61(53)110-79(12,13)116-67)82(97,57-68-62(111-80(14,15)117-68)54(74(96)104-19-2)63-69(57)118-81(16,17)112-63)55-64-58(107-76(6,7)113-64)52(59-65(55)114-77(8,9)108-59)71(93)88-32-34-100-35-36-101-37-38-102-42-51(92)90-48-39-43(27-30-50(48)105-33-22-25-46-29-28-44-23-21-31-87-70(44)89-46)40-49(72(94)106-75(3,4)5)91-119(98,99)47-26-20-24-45(41-47)83(84,85)86/h20,24,26-30,39,41,49,91,97H,18-19,21-23,25,31-38,40,42H2,1-17H3,(H,87,89)(H,88,93)(H,90,92)/t49-/m0/s1 |
| InChIKey | IHCJABWDAAHYSG-GGCSAXROSA-N |
| Literature Reference Author | B.DRIESSCHAERT,P.LEVEQUE,B.GALLEZ,J.MARCHAND-BRYNAERT |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,8077(2014) |
| Literature Reference DOI | 10.1002/ejoc.201403049 |
| Molecular Weight | 1879.491 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR20094 |