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(R)-2-Methyl-1-butanol 4-Methylbenzenesulfonate
SpectraBase Compound ID DlSRUClr9BE
InChI InChI=1S/C12H18O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKey HPEVJTNZYIMANV-SNVBAGLBSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZJ1yI5d12E
Name (R)-2-Methyl-1-butanol 4-Methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid[(2R)-2-methylbutyl]ester [(2R)-2-methylbutyl]4-methylbenzenesulfonate [(2R)-2-methylbutyl] 4-methylbenzenesulfonate
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Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKey HPEVJTNZYIMANV-SNVBAGLBSA-N
Molecular Weight 242.333 g/mol
SMILES c1(S(OC[C@@](CC)(C)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-00di-9000000000-587be18efb6fc8795e29
Source of Spectrum J-59-3356-59
Wiley ID 1244809