| SpectraBase Compound ID | CzOIrLBbqBN |
|---|---|
| InChI | InChI=1S/C12H13NO/c13-9-8-11-6-7-12(14-11)10-4-2-1-3-5-10/h1-5,11-12H,6-8H2/t11-,12+/m1/s1 |
| InChIKey | QGMFHRMIUPIZQX-NEPJUHHUSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1NltMKWBZe |
|---|---|
| Name | cis-(5-Phenyltetrahydrofuran-2-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c13-9-8-11-6-7-12(14-11)10-4-2-1-3-5-10/h1-5,11-12H,6-8H2/t11-,12+/m1/s1 |
| InChIKey | QGMFHRMIUPIZQX-NEPJUHHUSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | [C@]1(O[C@](CC1)(CC#N)[H])(C1=CC=CC=C1)[H] |