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1,6-Hexanediol-bis-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

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1,6-Hexanediol-bis-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
SpectraBase Compound ID 218C8ZNQWUq
InChI InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)19-21-45-33(41)17-15-13-14-16-18-34(42)46-22-20-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3
InChIKey FCUISNHDMXBSCK-UHFFFAOYSA-N
Mol Weight 638.9 g/mol
Molecular Formula C40H62O6
Exact Mass 638.45464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bcElkd65Ep
Name 1,6-Hexanediol-bis-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.454639710 u
Formula C40H62O6
InChI InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)19-21-45-33(41)17-15-13-14-16-18-34(42)46-22-20-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3
InChIKey FCUISNHDMXBSCK-UHFFFAOYSA-N
Molecular Weight 638.930 g/mol
SMILES OC1=C(C=C(C=C1C(C)(C)C)CCOC(=O)CCCCCCC(OCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)=O)C(C)(C)C