SpectraBase Compound ID | 7Xx6L7NBAiq |
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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 |
SpectraBase Spectrum ID | 3sBnBlqQi0K |
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Name | beta-Alanine, N-(2-thienylsulfonyl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |