![Benzene, 1-[(2-bromocyclohexyl)thio]-2,4-dinitro-](/api/spectrum/8W8oKtmzwSU/structure.png?h=300&w=458 "Benzene, 1-[(2-bromocyclohexyl)thio]-2,4-dinitro-")
| SpectraBase Compound ID | JuqRegi8Tid |
|---|---|
| InChI | InChI=1S/C12H13BrN2O4S/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h5-7,9,11H,1-4H2 |
| InChIKey | MEQLMWVWMMUEJQ-UHFFFAOYSA-N |
| Mol Weight | 361.21 g/mol |
| Molecular Formula | C12H13BrN2O4S |
| Exact Mass | 359.977941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8W8oKtmzwSU |
|---|---|
| Name | Benzene, 1-[(2-bromocyclohexyl)thio]-2,4-dinitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.977941077 u |
| Formula | C12H13BrN2O4S |
| InChI | InChI=1S/C12H13BrN2O4S/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h5-7,9,11H,1-4H2 |
| InChIKey | MEQLMWVWMMUEJQ-UHFFFAOYSA-N |
| Molecular Weight | 361.210 g/mol |
| SMILES | C1CCCC(C1Br)SC1=CC=C(C=C1N(=O)=O)N(=O)=O |