| SpectraBase Compound ID | jSZR5gsxOW |
|---|---|
| InChI | InChI=1S/C11H13NO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2 |
| InChIKey | LCXIBFQKPWBUSG-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8tqBMkP9DVp |
|---|---|
| Name | 4-(Benzyloxy)butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2 |
| InChIKey | LCXIBFQKPWBUSG-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C=1C(=CC=CC1)COCCCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.994488 |