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(S)-2,3-dimethylbut-3-en-1-yl 4-methylbenzenesulfonate
SpectraBase Compound ID A7XSqbmXkv6
InChI InChI=1S/C13H18O3S/c1-10(2)12(4)9-16-17(14,15)13-7-5-11(3)6-8-13/h5-8,12H,1,9H2,2-4H3/t12-/m1/s1
InChIKey VMTWHHGXHNEEKF-GFCCVEGCSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ieb6truZBzy
Name (S)-2,3-dimethylbut-3-en-1-yl 4-methylbenzenesulfonate
Appearance Colorless oil
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-10(2)12(4)9-16-17(14,15)13-7-5-11(3)6-8-13/h5-8,12H,1,9H2,2-4H3/t12-/m1/s1
InChIKey VMTWHHGXHNEEKF-GFCCVEGCSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200091
Molecular Weight 254.344 g/mol
Optical Rotation [a]D20 = +7.0 (c = 1.0, CH2Cl2)
SMILES CC([C@@](COS(c1ccc(cc1)C)(=O)=O)(C)[H])=C
SPLASH splash10-00l6-9100000000-8039856f9ef537477e81
Source of Spectrum CBC-23-SM26-(S)-S7
Thin-Layer Chromatography Rf = 0.38 (cyclohexane/ethyl acetate, 10:1)
Wiley ID 1873195