![[Titaniumbis(O-4-methylphenyl)di(O-methyl)calix[4]tert-buylbenzene]](/api/spectrum/eAqGT3G73P/structure.png?h=300&w=458 "[Titaniumbis(O-4-methylphenyl)di(O-methyl)calix[4]tert-buylbenzene]")
| SpectraBase Compound ID | CW9ndXlHyHS |
|---|---|
| InChI | InChI=1S/C46H60O4.2C7H8O.Ti/c1-43(2,3)35-21-28-15-27-16-32(42(50-14)38(17-27)46(10,11)12)18-29-22-36(44(4,5)6)24-31(40(29)48)20-34-26-37(45(7,8)9)25-33(41(34)49-13)19-30(23-35)39(28)47;2*1-6-2-4-7(8)5-3-6;/h16-17,21-26,47-48H,15,18-20H2,1-14H3;2*2-5,8H,1H3;/q;;;+4/p-4 |
| InChIKey | WTUVXRCKWNXPAS-UHFFFAOYSA-J |
| Mol Weight | 937.1 g/mol |
| Molecular Formula | C60H72O6Ti |
| Exact Mass | 936.480831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | eAqGT3G73P |
|---|---|
| Name | [Titaniumbis(O-4-methylphenyl)di(O-methyl)calix[4]tert-buylbenzene] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C60H72O6Ti |
| InChI | InChI=1S/C46H60O4.2C7H8O.Ti/c1-43(2,3)35-21-28-15-27-16-32(42(50-14)38(17-27)46(10,11)12)18-29-22-36(44(4,5)6)24-31(40(29)48)20-34-26-37(45(7,8)9)25-33(41(34)49-13)19-30(23-35)39(28)47;2*1-6-2-4-7(8)5-3-6;/h16-17,21-26,47-48H,15,18-20H2,1-14H3;2*2-5,8H,1H3;/q;;;+4/p-4 |
| InChIKey | WTUVXRCKWNXPAS-UHFFFAOYSA-J |
| Molecular Weight | 937.097 g/mol |
| SMILES | c12[O]([Ti]34(Oc5c6Cc(cc2C(C)(C)C)cc1Cc1c(c(Cc2c(c(Cc5cc(c6)C(C)(C)C)cc(c2)C(C)(C)C)[O]4C)cc(c1)C(C)(C)C)O3)(Oc1ccc(cc1)C)Oc1ccc(cc1)C)C |
| SPLASH | splash10-03dj-0000000390-37cd5abbf9a6736b6aea |
| Source of Spectrum | QF-9-3650-17 |
| Wiley ID | 1558685 |