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Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

View entire compound with spectra: 2 NMR, 7 FTIR, and 1 Raman

Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
SpectraBase Compound ID 5FwxaChj7Xy
InChI InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3
InChIKey VNQNXQYZMPJLQX-UHFFFAOYSA-N
Mol Weight 784.1 g/mol
Molecular Formula C48H69N3O6
Exact Mass 783.518637 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F17z2OugbvY
Name Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 407933
CAS Registry Number 27676-62-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H69N3O6
InChI InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3
InChIKey VNQNXQYZMPJLQX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanur
Wiley ID SIAL_13CNMR_008970