SpectraBase Compound ID | 2mbNEKaZdsO |
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InChI | InChI=1S/C11H13NO2S2/c1-8(2)7-16(13,14)11-12-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3 |
InChIKey | PKSBMRIQLPGGNW-UHFFFAOYSA-N |
Mol Weight | 255.35 g/mol |
Molecular Formula | C11H13NO2S2 |
Exact Mass | 255.038771 g/mol |
SpectraBase Spectrum ID | 3CwifQ3tRPG |
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Name | 2-(Isobutylsulfonyl)benzothiazole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 255.038771009 u |
Formula | C11H13NO2S2 |
InChI | InChI=1S/C11H13NO2S2/c1-8(2)7-16(13,14)11-12-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3 |
InChIKey | PKSBMRIQLPGGNW-UHFFFAOYSA-N |
Molecular Weight | 255.350 g/mol |
SMILES | C1=CC=CC2=C1N=C(S2)S(=O)(=O)CC(C)C |