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6,10,14-Hexadecatrien-2-ol, 16-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3-bromo-2,6,10,14-tetramethyl-, (E,E,E)-(.+-.)-
SpectraBase Compound ID yi4E49XKJa
InChI InChI=1S/C31H49BrO5/c1-23(12-10-14-25(3)16-18-29(32)31(5,6)33)11-9-13-24(2)15-17-27-20-28(36-21-34-7)19-26(4)30(27)37-22-35-8/h11,14-15,19-20,29,33H,9-10,12-13,16-18,21-22H2,1-8H3/b23-11+,24-15+,25-14+/t29-/m1/s1
InChIKey KZZFSRDXBVBYPD-PNQDPSASSA-N
Mol Weight 581.6 g/mol
Molecular Formula C31H49BrO5
Exact Mass 580.276338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W0TPaUL839
Name 6,10,14-Hexadecatrien-2-ol, 16-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3-bromo-2,6,10,14-tetramethyl-, (E,E,E)-(.+-.)-
Alternate Name(s) (3R,6E,10E,14E)-16-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3-bromo-2,6,10,14-tetramethyl-6,10,14-hexadecatrien-2-ol (E,E,E)-16-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3R-bromo-2,6,10,14-tetramethylhexadeca-6,10,14-trien-2-ol
CAS Registry Number 131265-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49BrO5
InChI InChI=1S/C31H49BrO5/c1-23(12-10-14-25(3)16-18-29(32)31(5,6)33)11-9-13-24(2)15-17-27-20-28(36-21-34-7)19-26(4)30(27)37-22-35-8/h11,14-15,19-20,29,33H,9-10,12-13,16-18,21-22H2,1-8H3/b23-11+,24-15+,25-14+/t29-/m1/s1
InChIKey KZZFSRDXBVBYPD-PNQDPSASSA-N
Molecular Weight 581.632 g/mol
SMILES OC([C@@](CC\C(=C\CC\C(=C\CC\C(=C\Cc1c(c(C)cc(c1)OCOC)OCOC)C)C)C)(Br)[H])(C)C
SPLASH splash10-05o9-9300000000-9553033e42059c6a7ae3
Source of Spectrum KC-1990-2270-37
Wiley ID 1408500