| SpectraBase Compound ID | FlypgQ4tdHm |
|---|---|
| InChI | InChI=1S/C8H9NO3/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | REJUUAZLLYKBCW-UHFFFAOYSA-N |
| Mol Weight | 167.16 g/mol |
| Molecular Formula | C8H9NO3 |
| Exact Mass | 167.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNKjR96DGB2 |
|---|---|
| Name | 2-Phenylethyl nitrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.058243151 u |
| Formula | C8H9NO3 |
| InChI | InChI=1S/C8H9NO3/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | REJUUAZLLYKBCW-UHFFFAOYSA-N |
| SMILES | C(ON(=O)=O)CC1=CC=CC=C1 |