CL(-)](/api/spectrum/Ex5eMCSWA9L/structure.png?h=300&w=458 "M-TOLUIDINE-ADDUCT;[W(NC6H4CH3)-(TERT.-BUCALIX-H)](+)CL(-)")
| SpectraBase Compound ID | HS7QCaiB5Vn |
|---|---|
| InChI | InChI=1S/C44H56O4.C7H7N.ClH.W/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45;1-6-3-2-4-7(8)5-6;;/h17-24,45-48H,13-16H2,1-12H3;2-5H,1H3;1H;/q;;;+4/p-4 |
| InChIKey | PFADXRCAMZVDOW-UHFFFAOYSA-J |
| Mol Weight | 970.3 g/mol |
| Molecular Formula | C51H60ClNO4W |
| Exact Mass | 969.37202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ex5eMCSWA9L |
|---|---|
| Name | M-TOLUIDINE-ADDUCT;[W(NC6H4CH3)-(TERT.-BUCALIX-H)](+)CL(-) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H60ClNO4W |
| InChI | InChI=1S/C44H56O4.C7H7N.ClH.W/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45;1-6-3-2-4-7(8)5-6;;/h17-24,45-48H,13-16H2,1-12H3;2-5H,1H3;1H;/q;;;+4/p-4 |
| InChIKey | PFADXRCAMZVDOW-UHFFFAOYSA-J |
| Literature Reference Author | M.BROWN,C.JABLONSKI |
| Literature Reference Citation | CAN.J.CHEM.,79,463(2001) |
| Literature Reference DOI | 10.1139/cjc-79-5-6-463 |
| Molecular Weight | 970.345 g/mol |
| Solvent | CDCl3 |