| SpectraBase Compound ID | 3YKAintKweX |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3 |
| InChIKey | RUWUCOYLNIGKRD-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 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 | Ij5Z3uKwuX3 |
|---|---|
| Name | 4-(Methoxymethyl)benzenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.068413913 u |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3 |
| InChIKey | RUWUCOYLNIGKRD-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C(#N)C=1C=CC(=CC1)COC |