| SpectraBase Compound ID | K5ylB5ZxETA |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-2-3-4-7-15-11-5-6-12(14)10(8-11)9-13/h5-6,8,14H,2-4,7H2,1H3 |
| InChIKey | WEPPPUUJZJFMFT-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | rw9iqbM4yh |
|---|---|
| Name | 2-Cyano-5-pentyloxyphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-2-3-4-7-15-11-5-6-12(14)10(8-11)9-13/h5-6,8,14H,2-4,7H2,1H3 |
| InChIKey | WEPPPUUJZJFMFT-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C1=C(C(=CC=C1OCCCCC)O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917751 |