| SpectraBase Compound ID | HToZ2xdqXLb |
|---|---|
| InChI | InChI=1S/C12H15NO2/c14-13(15)12-7-5-11(6-8-12)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2 |
| InChIKey | VGHLWZQKPDHOLM-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbmERGtkcnS |
|---|---|
| Name | 1-(Cyclopentylmethyl)-4-nitro-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c14-13(15)12-7-5-11(6-8-12)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2 |
| InChIKey | VGHLWZQKPDHOLM-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)CC1CCCC1 |