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3-(4-Benzyloxy-3,5-dimethoxyphenyl)-2-methylpropyl p-toluenesulfonate

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

3-(4-Benzyloxy-3,5-dimethoxyphenyl)-2-methylpropyl p-toluenesulfonate
SpectraBase Compound ID Aartj3kiZj2
InChI InChI=1S/C26H30O6S/c1-19-10-12-23(13-11-19)33(27,28)32-17-20(2)14-22-15-24(29-3)26(25(16-22)30-4)31-18-21-8-6-5-7-9-21/h5-13,15-16,20H,14,17-18H2,1-4H3
InChIKey PJFDLSIAYCVTCT-UHFFFAOYSA-N
Mol Weight 470.58 g/mol
Molecular Formula C26H30O6S
Exact Mass 470.17631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IG45gstlyKt
Name 3-(4-Benzyloxy-3,5-dimethoxyphenyl)-2-methylpropyl p-toluenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.176309854 u
Formula C26H30O6S
InChI InChI=1S/C26H30O6S/c1-19-10-12-23(13-11-19)33(27,28)32-17-20(2)14-22-15-24(29-3)26(25(16-22)30-4)31-18-21-8-6-5-7-9-21/h5-13,15-16,20H,14,17-18H2,1-4H3
InChIKey PJFDLSIAYCVTCT-UHFFFAOYSA-N
Molecular Weight 470.580 g/mol
SMILES C1(S(OCC(CC2=CC(OC)=C(C(=C2)OC)OCC=2C=CC=CC2)C)(=O)=O)=CC=C(C=C1)C