| SpectraBase Compound ID | BTXwKJEFDfK |
|---|---|
| InChI | InChI=1S/C41H52INO16/c1-20-31(49-18-26-14-10-8-11-15-26)34(58-41-37(55-25(6)47)36(54-24(5)46)32(21(2)52-41)53-23(4)45)29(42)39(51-20)59-35-30(43-22(3)44)40(48-7)56-28-19-50-38(57-33(28)35)27-16-12-9-13-17-27/h8-17,20-21,28-41H,18-19H2,1-7H3,(H,43,44)/t20-,21+,28-,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+/m0/s1 |
| InChIKey | AJZYBCJEUIUZGO-VPTNGYCDSA-N |
| Mol Weight | 941.8 g/mol |
| Molecular Formula | C41H52INO16 |
| Exact Mass | 941.23308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrXzExpKeYy |
|---|---|
| Name | AJZYBCJEUIUZGO-VPTNGYCDSA-N |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52INO16 |
| InChI | InChI=1S/C41H52INO16/c1-20-31(49-18-26-14-10-8-11-15-26)34(58-41-37(55-25(6)47)36(54-24(5)46)32(21(2)52-41)53-23(4)45)29(42)39(51-20)59-35-30(43-22(3)44)40(48-7)56-28-19-50-38(57-33(28)35)27-16-12-9-13-17-27/h8-17,20-21,28-41H,18-19H2,1-7H3,(H,43,44)/t20-,21+,28-,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+/m0/s1 |
| InChIKey | AJZYBCJEUIUZGO-VPTNGYCDSA-N |
| Literature Reference Author | H.R.HANNA,D.R.BUNDLE |
| Literature Reference Citation | CAN.J.CHEM.,71,125(1993) |
| Literature Reference DOI | 10.1139/v93-018 |
| Molecular Weight | 941.765 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP3126 |