| SpectraBase Compound ID | HtnTURCky22 |
|---|---|
| InChI | InChI=1S/C72H75Br3N6O9/c1-40(43-16-22-49(73)23-17-43)76-64(82)79-67-28-4-10-46(11-5-29-67)70(67)85-58-34-52-53(35-59(58)86-70)55-37-61-63(90-72(88-61)48-14-8-32-69(72,33-9-15-48)81-66(84)78-42(3)45-20-26-51(75)27-21-45)39-57(55)56-38-62-60(36-54(52)56)87-71(89-62)47-12-6-30-68(71,31-7-13-47)80-65(83)77-41(2)44-18-24-50(74)25-19-44/h16-27,34-42,46-48H,4-15,28-33H2,1-3H3,(H2,76,79,82)(H2,77,80,83)(H2,78,81,84)/t40-,41-,42+,46?,47?,48?,67-,68-,69-,70?,71?,72?/m0/s1 |
| InChIKey | GASSXJWLTMVKCE-MGXMQKKTSA-N |
| Mol Weight | 1408.1 g/mol |
| Molecular Formula | C72H75Br3N6O9 |
| Exact Mass | 1404.314567 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhijEdhM7xi |
|---|---|
| Name | GASSXJWLTMVKCE-MGXMQKKTSA-N |
| Compound Number | 19B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H75Br3N6O9 |
| InChI | InChI=1S/C72H75Br3N6O9/c1-40(43-16-22-49(73)23-17-43)76-64(82)79-67-28-4-10-46(11-5-29-67)70(67)85-58-34-52-53(35-59(58)86-70)55-37-61-63(90-72(88-61)48-14-8-32-69(72,33-9-15-48)81-66(84)78-42(3)45-20-26-51(75)27-21-45)39-57(55)56-38-62-60(36-54(52)56)87-71(89-62)47-12-6-30-68(71,31-7-13-47)80-65(83)77-41(2)44-18-24-50(74)25-19-44/h16-27,34-42,46-48H,4-15,28-33H2,1-3H3,(H2,76,79,82)(H2,77,80,83)(H2,78,81,84)/t40-,41-,42+,46?,47?,48?,67-,68-,69-,70?,71?,72?/m0/s1 |
| InChIKey | GASSXJWLTMVKCE-MGXMQKKTSA-N |
| Literature Reference Author | M.C.SCHOPOHL,A.FAUST,D.MIRK,R.FROEHLICH,O.KATAEVA,S.R.WALDVO GEL |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2987(2005) |
| Molecular Weight | 1408.134 g/mol |
| Sample ID | 29783 |
| Solvent | CDCl3 |