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(+)-(S,E)-3-tert-Butylhex-4-enyl Methanesulfonate
SpectraBase Compound ID 9N3bVDVlr1R
InChI InChI=1S/C11H22O3S/c1-6-7-10(11(2,3)4)8-9-14-15(5,12)13/h6-7,10H,8-9H2,1-5H3/b7-6+/t10-/m1/s1
InChIKey MYEAVMHLEPKVQP-VQCYPWCPSA-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 4V9znUxXzV9
Name (+)-(S,E)-3-tert-Butylhex-4-enyl Methanesulfonate
Appearance Colorless oil
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Exact Mass 234.128965739 u
Formula C11H22O3S
InChI InChI=1S/C11H22O3S/c1-6-7-10(11(2,3)4)8-9-14-15(5,12)13/h6-7,10H,8-9H2,1-5H3/b7-6+/t10-/m1/s1
InChIKey MYEAVMHLEPKVQP-VQCYPWCPSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 234.354 g/mol
Optical Rotation [a]D20 = +19.3 (c = 1.0, CH2Cl2)
Quality 91
Reported Formula C10H22O3S
SMILES [C@@](CCOS(C)(=O)=O)(\C=C\C)(C(C)(C)C)[H]
SPLASH splash10-001r-9800000000-a45899e936943741f015
Source of Spectrum JOC-78-624-20c (DOI: 10.1021/jo302438k)
Wiley ID 1911682