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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CelIBSHlEGA
Name 3-(4-Benzyloxy-3,5-dimethoxyphenyl)-2-methylpropyl p-Toluenesulfonate
Alternate Name(s) 3-[4-(benzyloxy)-3,5-dimethoxyphenyl]-2-methylpropyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(Cc2cc(OC)c(c(c2)OC)OCc2ccccc2)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0a4l-7390300000-38260793820eeda9433b
Source of Spectrum B-44-1323-42
Wiley ID 1392818