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Glycine, N-(o-tolyl)-N-(p-tolylsulfonyl)-, 4-carbethoxypiperazide

View entire compound with spectra: 1 NMR

Glycine, N-(o-tolyl)-N-(p-tolylsulfonyl)-, 4-carbethoxypiperazide
SpectraBase Compound ID 2RbRR9ugwFD
InChI InChI=1S/C23H29N3O5S/c1-4-31-23(28)25-15-13-24(14-16-25)22(27)17-26(21-8-6-5-7-19(21)3)32(29,30)20-11-9-18(2)10-12-20/h5-12H,4,13-17H2,1-3H3
InChIKey XHADEQRUAGQQAM-UHFFFAOYSA-N
Mol Weight 459.56 g/mol
Molecular Formula C23H29N3O5S
Exact Mass 459.182792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5DJle5PeZY
Name Glycine, N-(o-tolyl)-N-(p-tolylsulfonyl)-, 4-carbethoxypiperazide
Comments Computed using HOSE algorithm
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Exact Mass 459.182792215 u
Formula C23H29N3O5S
InChI InChI=1S/C23H29N3O5S/c1-4-31-23(28)25-15-13-24(14-16-25)22(27)17-26(21-8-6-5-7-19(21)3)32(29,30)20-11-9-18(2)10-12-20/h5-12H,4,13-17H2,1-3H3
InChIKey XHADEQRUAGQQAM-UHFFFAOYSA-N
Molecular Weight 459.561 g/mol
SMILES C1(=CC=C(C=C1)C)S(N(C1=C(C=CC=C1)C)CC(N1CCN(CC1)C(OCC)=O)=O)(=O)=O