SpectraBase Compound ID | KF85Z4sSHgC |
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InChI | InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3 |
InChIKey | HZHADWCIBZZJNV-UHFFFAOYSA-N |
Mol Weight | 993.3 g/mol |
Molecular Formula | C60H80O12 |
Exact Mass | 992.564978 g/mol |
SpectraBase Spectrum ID | 6MoDfttRYfP |
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Name | 4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 420484 |
Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C60H80O12 |
InChI | InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3 |
InChIKey | HZHADWCIBZZJNV-UHFFFAOYSA-N |
Molecular Weight | 993.288 g/mol |
Observed nucleus | 1H |
Purity | 97% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_014179 |