| SpectraBase Compound ID | DmWEIjGOh6b |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7H,2-3,8H2,1H3 |
| InChIKey | RRGQINKVTNAIBB-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ItKRIevUGU5 |
|---|---|
| Name | p-Butoxybenzonitrile |
| 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/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7H,2-3,8H2,1H3 |
| InChIKey | RRGQINKVTNAIBB-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C1=CC(=CC=C1OCCCC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89711 |