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N2-(p-tolylsulfonyl)-L-glutamine
SpectraBase Compound ID ACGrCgGZFtZ
InChI InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17)
InChIKey YDNYEJZZJXFADP-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C12H16N2O5S
Exact Mass 300.077993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSb6ugxXpHg
Name N2-(p-Tolylsulfonyl)-L-glutamine
Comments Computed using HOSE algorithm
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Exact Mass 300.077992792 u
Formula C12H16N2O5S
InChI InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17)
InChIKey YDNYEJZZJXFADP-UHFFFAOYSA-N
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)C(C(O)=O)CCC(N)=O