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2-[2-(4-Heptylphenyl)ethyl]-6-hydroxy-benzoic acid, 2tms

View entire compound with spectra: 1 NMR

2-[2-(4-Heptylphenyl)ethyl]-6-hydroxy-benzoic acid, 2tms
SpectraBase Compound ID FzVyJrXnGD5
InChI InChI=1S/C28H44O3Si2/c1-8-9-10-11-12-14-23-17-19-24(20-18-23)21-22-25-15-13-16-26(30-32(2,3)4)27(25)28(29)31-33(5,6)7/h13,15-20H,8-12,14,21-22H2,1-7H3
InChIKey FQPYCRDWXWDYLU-UHFFFAOYSA-N
Mol Weight 484.8 g/mol
Molecular Formula C28H44O3Si2
Exact Mass 484.282898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtEPPbxm9u4
Name 2-[2-(4-Heptylphenyl)ethyl]-6-hydroxy-benzoic acid, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.282898344 u
Formula C28H44O3Si2
InChI InChI=1S/C28H44O3Si2/c1-8-9-10-11-12-14-23-17-19-24(20-18-23)21-22-25-15-13-16-26(30-32(2,3)4)27(25)28(29)31-33(5,6)7/h13,15-20H,8-12,14,21-22H2,1-7H3
InChIKey FQPYCRDWXWDYLU-UHFFFAOYSA-N
Molecular Weight 484.827 g/mol
SMILES C(O[Si](C)(C)C)(=O)C1=C(CCC2=CC=C(C=C2)CCCCCCC)C=CC=C1O[Si](C)(C)C