| SpectraBase Compound ID | 17LuP9XMLHg |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7,10,12H,5H2,1H3/t10-/m0/s1 |
| InChIKey | OYFDTBOJBCVCCT-JTQLQIEISA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IguevH3Vp8p |
|---|---|
| Name | (3S)-3-(3-Methylphenyl)-3-oxidanyl-propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7,10,12H,5H2,1H3/t10-/m0/s1 |
| InChIKey | OYFDTBOJBCVCCT-JTQLQIEISA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C(#N)C[C@@](C=1C=C(C)C=CC1)(O)[H] |