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(4-(Ethylsulfonyl)piperazin-1-yl)(2-methoxyphenyl)methanone oxalate

View entire compound with spectra: 2 NMR

(4-(Ethylsulfonyl)piperazin-1-yl)(2-methoxyphenyl)methanone oxalate
SpectraBase Compound ID IrYz7tlOU4r
InChI InChI=1S/C14H20N2O4S.C2H2O4/c1-3-21(18,19)16-10-8-15(9-11-16)14(17)12-6-4-5-7-13(12)20-2;3-1(4)2(5)6/h4-7H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey YZKJHTGQCZBINR-UHFFFAOYSA-N
Mol Weight 402.42 g/mol
Molecular Formula C16H22N2O8S
Exact Mass 402.109687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77TLhfqIRvc
Name (4-(Ethylsulfonyl)piperazin-1-yl)(2-methoxyphenyl)methanone oxalate
Comments Computed using HOSE algorithm
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Exact Mass 402.109686842 u
Formula C16H22N2O8S
InChI InChI=1S/C14H20N2O4S.C2H2O4/c1-3-21(18,19)16-10-8-15(9-11-16)14(17)12-6-4-5-7-13(12)20-2;3-1(4)2(5)6/h4-7H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey YZKJHTGQCZBINR-UHFFFAOYSA-N
Molecular Weight 402.418 g/mol
SMILES OC(C(O)=O)=O.C1=CC=C(C(N2CCN(S(=O)(=O)CC)CC2)=O)C(OC)=C1