![4-tert-Butylcalix[4]arene tribenzoate](/api/spectrum/5g9CtRvLHvg/structure.png?h=300&w=458 "4-tert-Butylcalix[4]arene tribenzoate")
| SpectraBase Compound ID | 53UHws239lk |
|---|---|
| InChI | InChI=1S/C65H68O7/c1-62(2,3)51-32-43-28-45-34-52(63(4,5)6)36-47(56(45)70-59(67)40-22-16-13-17-23-40)30-49-38-54(65(10,11)12)39-50(58(49)72-61(69)42-26-20-15-21-27-42)31-48-37-53(64(7,8)9)35-46(29-44(33-51)55(43)66)57(48)71-60(68)41-24-18-14-19-25-41/h13-27,32-39,66H,28-31H2,1-12H3 |
| InChIKey | NCZNYSJLIGBKFO-UHFFFAOYSA-N |
| Mol Weight | 961.3 g/mol |
| Molecular Formula | C65H68O7 |
| Exact Mass | 960.496505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5g9CtRvLHvg |
|---|---|
| Name | 4-tert-Butylcalix[4]arene tribenzoate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 437077 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C65H68O7 |
| InChI | InChI=1S/C65H68O7/c1-62(2,3)51-32-43-28-45-34-52(63(4,5)6)36-47(56(45)70-59(67)40-22-16-13-17-23-40)30-49-38-54(65(10,11)12)39-50(58(49)72-61(69)42-26-20-15-21-27-42)31-48-37-53(64(7,8)9)35-46(29-44(33-51)55(43)66)57(48)71-60(68)41-24-18-14-19-25-41/h13-27,32-39,66H,28-31H2,1-12H3 |
| InChIKey | NCZNYSJLIGBKFO-UHFFFAOYSA-N |
| Molecular Weight | 961.252 g/mol |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_014412 |