![Benzene, [1-(nitromethylene)butyl]-](/api/spectrum/574G7pGEsPH/structure.png?h=300&w=458 "Benzene, [1-(nitromethylene)butyl]-")
| SpectraBase Compound ID | tSeIv14iun |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3/b11-9+ |
| InChIKey | HUWVHZHBKKDCDD-PKNBQFBNSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 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 | 574G7pGEsPH |
|---|---|
| Name | Benzene, [1-(nitromethylene)butyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3/b11-9+ |
| InChIKey | HUWVHZHBKKDCDD-PKNBQFBNSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C1(\C(=C\N(=O)=O)CCC)=CC=CC=C1 |