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(1Z,3E)-1-THIOCYANATOHEXA-1,3-DIEN-2-YL-METHANESULFONATE
SpectraBase Compound ID GaZjECTuU21
InChI InChI=1S/C8H11NO3S2/c1-3-4-5-8(6-13-7-9)12-14(2,10)11/h4-6H,3H2,1-2H3/b5-4+,8-6-
InChIKey JHYXLWREXMTRCD-LMJRQTCTSA-N
Mol Weight 233.3 g/mol
Molecular Formula C8H11NO3S2
Exact Mass 233.018036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lQDmBJVpWq
Name (1Z,3E)-1-THIOCYANATOHEXA-1,3-DIEN-2-YL-METHANESULFONATE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11NO3S2
InChI InChI=1S/C8H11NO3S2/c1-3-4-5-8(6-13-7-9)12-14(2,10)11/h4-6H,3H2,1-2H3/b5-4+,8-6-
InChIKey JHYXLWREXMTRCD-LMJRQTCTSA-N
Literature Reference Author S.LANASPEZE,R.NEIER
Literature Reference Citation MH.CHEM.,136,597(2005)
Literature Reference DOI 10.1007/s00706-004-0258-7
Molecular Weight 233.300 g/mol
Solvent CDCl3
Source File Reference UWSI23584