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Pyrrolidine-2-carboxylic acid, 1-(4-tolylsulfonylamino)acetyl-

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

Pyrrolidine-2-carboxylic acid, 1-(4-tolylsulfonylamino)acetyl-
SpectraBase Compound ID CqCX2ZVMsK2
InChI InChI=1S/C14H18N2O5S/c1-10-4-6-11(7-5-10)22(20,21)15-9-13(17)16-8-2-3-12(16)14(18)19/h4-7,12,15H,2-3,8-9H2,1H3,(H,18,19)
InChIKey PKLPIXGPPLQAQK-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C14H18N2O5S
Exact Mass 326.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHPiz9tBuwy
Name Pyrrolidine-2-carboxylic acid, 1-(4-tolylsulfonylamino)acetyl-
Comments Computed using HOSE algorithm
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Exact Mass 326.093642857 u
Formula C14H18N2O5S
InChI InChI=1S/C14H18N2O5S/c1-10-4-6-11(7-5-10)22(20,21)15-9-13(17)16-8-2-3-12(16)14(18)19/h4-7,12,15H,2-3,8-9H2,1H3,(H,18,19)
InChIKey PKLPIXGPPLQAQK-UHFFFAOYSA-N
Molecular Weight 326.367 g/mol
SMILES CC1=CC=C(S(NCC(N2CCCC2C(=O)O)=O)(=O)=O)C=C1