| SpectraBase Compound ID | 8SIAjb1RH6F |
|---|---|
| InChI | InChI=1S/C32H12BF24.C32H30F3N2P.C8H8.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-31(2,3)29-22-37(24-20-18-23(19-21-24)32(33,34)35)30(36-29)27-16-10-11-17-28(27)38(25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-2-4-6-8-7-5-3-1;/h1-12H;4-21,29H,22H2,1-3H3;1-2,7-8H2;/q-1;;;-1/p+1/t;29-;;/m.1../s1 |
| InChIKey | DEVBIGSCPXOXKR-ZAPPRXEJSA-O |
| Mol Weight | 1691.2 g/mol |
| Molecular Formula | C72H51BF27IrN2P |
| Exact Mass | 1691.308101 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSiru8aA36e |
|---|---|
| Name | DEVBIGSCPXOXKR-ZAPPRXEJSA-O |
| Compound Number | 1G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H50BF27IrN2P |
| InChI | InChI=1S/C32H12BF24.C32H30F3N2P.C8H8.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-31(2,3)29-22-37(24-20-18-23(19-21-24)32(33,34)35)30(36-29)27-16-10-11-17-28(27)38(25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-2-4-6-8-7-5-3-1;/h1-12H;4-21,29H,22H2,1-3H3;1-2,7-8H2;/q-1;;;-1/p+1/t;29-;;/m.1../s1 |
| InChIKey | DEVBIGSCPXOXKR-ZAPPRXEJSA-O |
| Literature Reference Author | F.MENGES,M.NEUBURGER,A.PFALTZ |
| Literature Reference Citation | ORG.LETTERS,4,4713(2002) |
| Literature Reference DOI | 10.1021/ol027253c |
| Solvent | CDCl3 |
| Source File Reference | UWLU38019 |