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2,6-Bis(3,5-di-tert-butyl-4-hydroxybenzyl)-4-methylphenol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2,6-Bis(3,5-di-tert-butyl-4-hydroxybenzyl)-4-methylphenol
SpectraBase Compound ID C9d5HsKrXwd
InChI InChI=1S/C37H52O3/c1-22-14-25(16-23-18-27(34(2,3)4)32(39)28(19-23)35(5,6)7)31(38)26(15-22)17-24-20-29(36(8,9)10)33(40)30(21-24)37(11,12)13/h14-15,18-21,38-40H,16-17H2,1-13H3
InChIKey APCYUGCOBDXMHK-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C37H52O3
Exact Mass 544.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gv1wMylZmQb
Name 2,6-bis(3,5-di-Tert-butyl-4-hydroxybenzyl)-4-methylphenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.391645531 u
Formula C37H52O3
InChI InChI=1S/C37H52O3/c1-22-14-25(16-23-18-27(34(2,3)4)32(39)28(19-23)35(5,6)7)31(38)26(15-22)17-24-20-29(36(8,9)10)33(40)30(21-24)37(11,12)13/h14-15,18-21,38-40H,16-17H2,1-13H3
InChIKey APCYUGCOBDXMHK-UHFFFAOYSA-N
Molecular Weight 544.820 g/mol
SMILES C1(=C(C(C)(C)C)C=C(CC2=C(C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)=CC(=C2)C)O)C=C1C(C)(C)C)O