| SpectraBase Compound ID | 8djYWLul4q5 |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4H2,1H3 |
| InChIKey | QGCORZVATLGZQP-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ivn6WyYsEed |
|---|---|
| Name | 4-(4-Methoxyphenyl)butanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4H2,1H3 |
| InChIKey | QGCORZVATLGZQP-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C(#N)CCCC=1C=CC(=CC1)OC |