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(2R/S)-[6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]methane Sulfonate
SpectraBase Compound ID KRPcEStge2I
InChI InChI=1S/C22H28O5S/c1-15-16(2)21-19(11-12-22(4,27-21)14-26-28(5,23)24)17(3)20(15)25-13-18-9-7-6-8-10-18/h6-10H,11-14H2,1-5H3
InChIKey BQZRDNUETNFRGR-UHFFFAOYSA-N
Mol Weight 404.52 g/mol
Molecular Formula C22H28O5S
Exact Mass 404.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76MxMDiZz5g
Name (2R/S)-[6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]methane Sulfonate
Alternate Name(s) methanesulfonic acid (2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl ester (6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl methanesulfonate (2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl methanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C22H28O5S
InChI InChI=1S/C22H28O5S/c1-15-16(2)21-19(11-12-22(4,27-21)14-26-28(5,23)24)17(3)20(15)25-13-18-9-7-6-8-10-18/h6-10H,11-14H2,1-5H3
InChIKey BQZRDNUETNFRGR-UHFFFAOYSA-N
Molecular Weight 404.521 g/mol
SMILES c12c(c(C)c(c(c2C)C)OCc2ccccc2)CCC(O1)(COS(=O)(=O)C)C
SPLASH splash10-03di-0009100000-7b4c589df1038af24bfb
Source of Spectrum F2-42-3273-2
Wiley ID 1600284