![[[1-(Nitromethyl)cyclohexyl]thio]benzene](/api/spectrum/BByWE8jpqXf/structure.png?h=300&w=458 "[[1-(Nitromethyl)cyclohexyl]thio]benzene")
| SpectraBase Compound ID | EKQpXP4iYrY |
|---|---|
| InChI | InChI=1S/C13H17NO2S/c15-14(16)11-13(9-5-2-6-10-13)17-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey | SVDVHRHUVFTGIY-UHFFFAOYSA-N |
| Mol Weight | 251.34 g/mol |
| Molecular Formula | C13H17NO2S |
| Exact Mass | 251.098 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BByWE8jpqXf |
|---|---|
| Name | [[1-(Nitromethyl)cyclohexyl]thio]benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17NO2S |
| InChI | InChI=1S/C13H17NO2S/c15-14(16)11-13(9-5-2-6-10-13)17-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey | SVDVHRHUVFTGIY-UHFFFAOYSA-N |
| Molecular Weight | 251.344 g/mol |
| SMILES | C1(CCCCC1)(Sc1ccccc1)CN(=O)=O |
| SPLASH | splash10-03di-0950000000-89a22ad1e553f47ad4ad |
| Source of Spectrum | J-66-1988-7 |
| Wiley ID | 1534765 |