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3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 3tms

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3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 3tms
SpectraBase Compound ID 8bEZh9hwVYS
InChI InChI=1S/C34H52O4Si3/c1-26(2)17-16-18-27(3)21-24-30-31(36-39(4,5)6)25-29(23-22-28-19-14-13-15-20-28)32(33(30)37-40(7,8)9)34(35)38-41(10,11)12/h13-15,17,19-23,25H,16,18,24H2,1-12H3/b23-22+,27-21+
InChIKey IOQPMMONGSOKMZ-FVQVBBGUSA-N
Mol Weight 609.0 g/mol
Molecular Formula C34H52O4Si3
Exact Mass 608.31734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRiuumsV9C
Name 3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 3tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.317339755 u
Formula C34H52O4Si3
InChI InChI=1S/C34H52O4Si3/c1-26(2)17-16-18-27(3)21-24-30-31(36-39(4,5)6)25-29(23-22-28-19-14-13-15-20-28)32(33(30)37-40(7,8)9)34(35)38-41(10,11)12/h13-15,17,19-23,25H,16,18,24H2,1-12H3/b23-22+,27-21+
InChIKey IOQPMMONGSOKMZ-FVQVBBGUSA-N
Molecular Weight 609.041 g/mol
SMILES C1(=CC(=C(C(=C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C\C=C\(CCC=C(C)C)C)O[Si](C)(C)C)\C=C\C1=CC=CC=C1