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4-BENZYLOXY-2-BROMO-6-METHOXYPHENYL-TOLUENE-P-SULFONATE
SpectraBase Compound ID 338PLfCLHxM
InChI InChI=1S/C21H19BrO5S/c1-15-8-10-18(11-9-15)28(23,24)27-21-19(22)12-17(13-20(21)25-2)26-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChIKey SSUJKHKSAJVEHI-UHFFFAOYSA-N
Mol Weight 463.34 g/mol
Molecular Formula C21H19BrO5S
Exact Mass 462.013658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNp5s2k5BnW
Name (2-bromanyl-6-methoxy-4-phenylmethoxy-phenyl) 4-methylbenzenesulfonate
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Formula C21H19BrO5S
InChI InChI=1S/C21H19BrO5S/c1-15-8-10-18(11-9-15)28(23,24)27-21-19(22)12-17(13-20(21)25-2)26-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChIKey SSUJKHKSAJVEHI-UHFFFAOYSA-N
Molecular Weight 463.342 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(cc(cc1OC)OCc1ccccc1)Br
SPLASH splash10-0006-9000000000-edf1398aa1281305f3f2
Source of Spectrum KC-0-3034-20
Synonyms (2-bromo-6-methoxy-4-phenylmethoxyphenyl) 4-methylbenzenesulfonate (4-benzyloxy-2-bromo-6-methoxy-phenyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (2-bromo-6-methoxy-4-phenylmethoxyphenyl) ester 4-Methylbenzenesulfonic acid (4-benzoxy-2-bromo-6-methoxy-phenyl) ester
Wiley ID 829183