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But-1-ene-2,4-diyl bis(4-methylbenzenesulfonate)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

But-1-ene-2,4-diyl bis(4-methylbenzenesulfonate)
SpectraBase Compound ID CkcdnazuO7G
InChI InChI=1S/C18H20O6S2/c1-14-4-8-17(9-5-14)25(19,20)23-13-12-16(3)24-26(21,22)18-10-6-15(2)7-11-18/h4-11H,3,12-13H2,1-2H3
InChIKey MFAWFWCMQOCZOI-UHFFFAOYSA-N
Mol Weight 396.47 g/mol
Molecular Formula C18H20O6S2
Exact Mass 396.070131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2srY4ZvjawO
Name but-1-ene-2,4-Diyl bis(4-methylbenzenesulfonate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.070130706 u
Formula C18H20O6S2
InChI InChI=1S/C18H20O6S2/c1-14-4-8-17(9-5-14)25(19,20)23-13-12-16(3)24-26(21,22)18-10-6-15(2)7-11-18/h4-11H,3,12-13H2,1-2H3
InChIKey MFAWFWCMQOCZOI-UHFFFAOYSA-N
Molecular Weight 396.472 g/mol
SMILES C(C(=C)OS(=O)(=O)C1=CC=C(C=C1)C)COS(C1=CC=C(C=C1)C)(=O)=O