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(3-bromanyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate
SpectraBase Compound ID K77sgUDxlxO
InChI InChI=1S/C13H15BrO3S/c1-10-2-4-11(5-3-10)18(15,16)17-9-12-6-13(14,7-12)8-12/h2-5H,6-9H2,1H3
InChIKey YLXJMMAQNAWEAM-UHFFFAOYSA-N
Mol Weight 331.22 g/mol
Molecular Formula C13H15BrO3S
Exact Mass 329.992529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDOdpkKBrfv
Name (3-bromanyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate
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Formula C13H15BrO3S
InChI InChI=1S/C13H15BrO3S/c1-10-2-4-11(5-3-10)18(15,16)17-9-12-6-13(14,7-12)8-12/h2-5H,6-9H2,1H3
InChIKey YLXJMMAQNAWEAM-UHFFFAOYSA-N
Molecular Weight 331.224 g/mol
SMILES c1(S(OCC23CC(C3)(Br)C2)(=O)=O)ccc(cc1)C
SPLASH splash10-05r4-9400000000-98b31d13918b184c8066
Source of Spectrum J-59-2992-4
Synonyms (3-bromo-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-bromo-1-bicyclo[1.1.1]pentanyl)methyl ester
Wiley ID 1327450