![Benzene, 1-[(2-bromocyclohexyl)thio]-2-nitro-](/api/spectrum/B1kslKAsSjN/structure.png?h=300&w=458 "Benzene, 1-[(2-bromocyclohexyl)thio]-2-nitro-")
| SpectraBase Compound ID | 5wnxvf4jN1x |
|---|---|
| InChI | InChI=1S/C12H14BrNO2S/c13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(15)16/h2,4,6,8-9,11H,1,3,5,7H2 |
| InChIKey | SPKYYGFYMUYMDO-UHFFFAOYSA-N |
| Mol Weight | 316.21 g/mol |
| Molecular Formula | C12H14BrNO2S |
| Exact Mass | 314.992863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B1kslKAsSjN |
|---|---|
| Name | Benzene, 1-[(2-bromocyclohexyl)thio]-2-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.992862867 u |
| Formula | C12H14BrNO2S |
| InChI | InChI=1S/C12H14BrNO2S/c13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(15)16/h2,4,6,8-9,11H,1,3,5,7H2 |
| InChIKey | SPKYYGFYMUYMDO-UHFFFAOYSA-N |
| Molecular Weight | 316.213 g/mol |
| SMILES | C1CCCC(C1Br)SC1=CC=CC=C1N(=O)=O |