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bis(2-Choroethyl)carbamic acid, diester with 2,4'-sulfonyldiphenol
SpectraBase Compound ID 7e9LUqlWHf4
InChI InChI=1S/C22H24Cl4N2O6S/c23-9-13-27(14-10-24)21(29)33-17-5-7-18(8-6-17)35(31,32)20-4-2-1-3-19(20)34-22(30)28(15-11-25)16-12-26/h1-8H,9-16H2
InChIKey ILYLDPWYWMAOPK-UHFFFAOYSA-N
Mol Weight 586.3 g/mol
Molecular Formula C22H24Cl4N2O6S
Exact Mass 584.010918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeVGAszruGC
Name bis(2-Choroethyl)carbamic acid, diester with 2,4'-sulfonyldiphenol
Comments Computed using HOSE algorithm
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Exact Mass 584.010918469 u
Formula C22H24Cl4N2O6S
InChI InChI=1S/C22H24Cl4N2O6S/c23-9-13-27(14-10-24)21(29)33-17-5-7-18(8-6-17)35(31,32)20-4-2-1-3-19(20)34-22(30)28(15-11-25)16-12-26/h1-8H,9-16H2
InChIKey ILYLDPWYWMAOPK-UHFFFAOYSA-N
Molecular Weight 586.314 g/mol
SMILES C=1C(=CC=C(C1)OC(N(CCCl)CCCl)=O)S(=O)(=O)C=1C(=CC=CC1)OC(=O)N(CCCl)CCCl