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benzoic acid (2-besyl-1-methyl-1-phenethyl-propyl) ester
SpectraBase Compound ID J7uCDuoMfMo
InChI InChI=1S/C25H26O4S/c1-20(30(27,28)23-16-10-5-11-17-23)25(2,19-18-21-12-6-3-7-13-21)29-24(26)22-14-8-4-9-15-22/h3-17,20H,18-19H2,1-2H3
InChIKey XJBFSJLCYBWWEM-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C25H26O4S
Exact Mass 422.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94FdODV5eg0
Name benzoic acid (2-besyl-1-methyl-1-phenethyl-propyl) ester
Alternate Name(s) benzoic acid [4-(benzenesulfonyl)-3-methyl-1-phenylpentan-3-yl] ester [4-(benzenesulfonyl)-3-methyl-1-phenylpentan-3-yl] benzoate [2-(benzenesulfonyl)-1-methyl-1-(2-phenylethyl)propyl] benzoate
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Formula C25H26O4S
InChI InChI=1S/C25H26O4S/c1-20(30(27,28)23-16-10-5-11-17-23)25(2,19-18-21-12-6-3-7-13-21)29-24(26)22-14-8-4-9-15-22/h3-17,20H,18-19H2,1-2H3
InChIKey XJBFSJLCYBWWEM-UHFFFAOYSA-N
Molecular Weight 422.539 g/mol
SMILES C(c1ccccc1)(=O)OC(CCc1ccccc1)(C(C)S(=O)(=O)c1ccccc1)C
SPLASH splash10-0a4i-0900000000-513edb966f51708a212b
Source of Spectrum KC-57-2615-4
Wiley ID 1623519