| SpectraBase Compound ID | 2yMIot8oout |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h2-5,7H,1,6H2 |
| InChIKey | TZFDDOUGIRVHSK-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BqihuJ0BOh |
|---|---|
| Name | 3-(Allyloxy)nitrobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h2-5,7H,1,6H2 |
| InChIKey | TZFDDOUGIRVHSK-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C=1(C=C(C=CC1)OCC=C)N(=O)=O |