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beta-alanine, N-(2-thienylsulfonyl)-
SpectraBase Compound ID 7Xx6L7NBAiq
InChI InChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)
InChIKey PGHCOXJSXMMPHU-UHFFFAOYSA-N
Mol Weight 235.27 g/mol
Molecular Formula C7H9NO4S2
Exact Mass 234.9973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sBnBlqQi0K
Name beta-Alanine, N-(2-thienylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 234.997300118 u
Formula C7H9NO4S2
InChI InChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)
InChIKey PGHCOXJSXMMPHU-UHFFFAOYSA-N
SMILES OC(CCNS(C=1SC=CC1)(=O)=O)=O