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4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester
SpectraBase Compound ID KF85Z4sSHgC
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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6MoDfttRYfP
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