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(+)-(S,E)-3-Butylhex-4-enyl Methanesulfonate
SpectraBase Compound ID BOQanVtrfkQ
InChI InChI=1S/C11H22O3S/c1-4-6-8-11(7-5-2)9-10-14-15(3,12)13/h5,7,11H,4,6,8-10H2,1-3H3/b7-5+/t11-/m0/s1
InChIKey XFTREVJXSLNQPY-ZRQQLDRUSA-N
Mol Weight 234.35 g/mol
Molecular Formula C11H22O3S
Exact Mass 234.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpHQLd5krsU
Name (+)-(S,E)-3-Butylhex-4-enyl Methanesulfonate
Appearance Colorless oil
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Exact Mass 234.128965739 u
Formula C11H22O3S
InChI InChI=1S/C11H22O3S/c1-4-6-8-11(7-5-2)9-10-14-15(3,12)13/h5,7,11H,4,6,8-10H2,1-3H3/b7-5+/t11-/m0/s1
InChIKey XFTREVJXSLNQPY-ZRQQLDRUSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 234.354 g/mol
Optical Rotation [a]D20 = +13.4 (c = 1.0, CH2Cl2)
Quality 197
Reported Formula C11H22O3S
SMILES [C@@](CCOS(C)(=O)=O)(\C=C\C)(CCCC)[H]
SPLASH splash10-0ars-9300000000-1dd87551f894842fcc22
Source of Spectrum JOC-78-623-20a (DOI: 10.1021/jo302438k)
Wiley ID 1911680