| SpectraBase Compound ID | EkuY4Jmqn6g |
|---|---|
| InChI | InChI=1S/C25H39Cl2N3O5.2C3H7O.Ti/c1-9-10-11-28-22(33)18(14(2)35-25(6,7)8)30-23(34)21(24(3,4)5)29-13-15-19(31)16(26)12-17(27)20(15)32;2*1-3(2)4;/h12-14,18,21,31-32H,9-11H2,1-8H3,(H,28,33)(H,30,34);2*3H,1-2H3;/q;2*-1;+4/p-2/t14-,18-,21+;;;/m0.../s1 |
| InChIKey | LZSAKUOIWDURFA-YEJXPULHSA-L |
| Mol Weight | 696.5 g/mol |
| Molecular Formula | C31H51Cl2N3O7Ti |
| Exact Mass | 695.258347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EeUsxnb38r6 |
|---|---|
| Name | LZSAKUOIWDURFA-YEJXPULHSA-L |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H51Cl2N3O7Ti |
| InChI | InChI=1S/C25H39Cl2N3O5.2C3H7O.Ti/c1-9-10-11-28-22(33)18(14(2)35-25(6,7)8)30-23(34)21(24(3,4)5)29-13-15-19(31)16(26)12-17(27)20(15)32;2*1-3(2)4;/h12-14,18,21,31-32H,9-11H2,1-8H3,(H,28,33)(H,30,34);2*3H,1-2H3;/q;2*-1;+4/p-2/t14-,18-,21+;;;/m0.../s1 |
| InChIKey | LZSAKUOIWDURFA-YEJXPULHSA-L |
| Literature Reference Author | N.S.JOSEPHSOHN,K.W.KUNTZ,M.L.SNAPPER,A.H.HOVEYDA |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,11594(2001) |
| Literature Reference DOI | 10.1021/ja011875w |
| Molecular Weight | 696.548 g/mol |
| Solvent | C7D8 |
| Source File Reference | UWLU30670 |