| SpectraBase Compound ID | 3JMialHit54 |
|---|---|
| InChI | InChI=1S/C9H9NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,11H,7H2/b5-3+ |
| InChIKey | JQDUHQARXQIRHF-HWKANZROSA-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 | COSFvfhfGla |
|---|---|
| Name | 2-Nitrocinnamyl alcohol |
| 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/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,11H,7H2/b5-3+ |
| InChIKey | JQDUHQARXQIRHF-HWKANZROSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C=1(N(=O)=O)C(\C=C\CO)=CC=CC1 |