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2,4-DIMETHYL-1,3-PENTADIENE-3-SULFONIC-ACID
SpectraBase Compound ID Cew6BBN91Vb
InChI InChI=1S/C7H12O3S/c1-5(2)7(6(3)4)11(8,9)10/h1H2,2-4H3,(H,8,9,10)
InChIKey BBHTYFKFPBBNEA-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IspQkuSfO0f
Name 2,4-DIMETHYL-1,3-PENTADIENE-3-SULFONIC-ACID
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-5(2)7(6(3)4)11(8,9)10/h1H2,2-4H3,(H,8,9,10)
InChIKey BBHTYFKFPBBNEA-UHFFFAOYSA-N
Literature Reference Author R.M.SCHONK,B.H.BAKKER,H.CERFONTAIN
Literature Reference Citation REC.TR.CH.P.-B.,112,201(1993)
Literature Reference DOI 10.1002/recl.19931120301
Molecular Weight 176.230 g/mol
Solvent CD2Cl2
Source File Reference UWRK795