SpectraBase Compound ID | Jd0jpgJonns |
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InChI | InChI=1S/C11H17NO2S/c1-2-3-4-9-15(13,14)11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3 |
InChIKey | JKHQMSHBCBPZPA-UHFFFAOYSA-N |
Mol Weight | 227.32 g/mol |
Molecular Formula | C11H17NO2S |
Exact Mass | 227.098 g/mol |
SpectraBase Spectrum ID | 3dzNnRpiYJi |
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Name | p-(Pentylsulfonyl)aniline |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.097999963 u |
Formula | C11H17NO2S |
InChI | InChI=1S/C11H17NO2S/c1-2-3-4-9-15(13,14)11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3 |
InChIKey | JKHQMSHBCBPZPA-UHFFFAOYSA-N |
Molecular Weight | 227.322 g/mol |
SMILES | NC=1C=CC(=CC1)S(=O)(=O)CCCCC |