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(1R*,2R*,4S*)-2-Methyl-4-phenylcyclopentylmethyl 4-bromobenzenesulfonate
SpectraBase Compound ID L0qm4n7bWhG
InChI InChI=1S/C19H21BrO3S/c1-14-11-16(15-5-3-2-4-6-15)12-17(14)13-23-24(21,22)19-9-7-18(20)8-10-19/h2-10,14,16-17H,11-13H2,1H3/t14-,16+,17+/m0/s1
InChIKey LQUVOPVTILXCIF-USXIJHARSA-N
Mol Weight 409.34 g/mol
Molecular Formula C19H21BrO3S
Exact Mass 408.039479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H050YB4h2ns
Name (1R*,2R*,4S*)-2-Methyl-4-phenylcyclopentylmethyl 4-bromobenzenesulfonate
Alternate Name(s) [(1S,2S,4R)-2-methyl-4-phenylcyclopentyl]methyl 4-bromobenzenesulfonate
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Formula C19H21BrO3S
InChI InChI=1S/C19H21BrO3S/c1-14-11-16(15-5-3-2-4-6-15)12-17(14)13-23-24(21,22)19-9-7-18(20)8-10-19/h2-10,14,16-17H,11-13H2,1H3/t14-,16+,17+/m0/s1
InChIKey LQUVOPVTILXCIF-USXIJHARSA-N
Molecular Weight 409.338 g/mol
SMILES C(OS(c1ccc(cc1)Br)(=O)=O)[C@]1(C[C@](c2ccccc2)(C[C@@]1(C)[H])[H])[H]
SPLASH splash10-0kml-0900000000-6f3b1d7bf19918d273fc
Source of Spectrum C-118-553-12
Wiley ID 759516