| SpectraBase Compound ID | 59b9fDK3fub |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-2-4-11-5-7-12(8-6-11)14-10-3-9-13/h5-8H,2-4,10H2,1H3 |
| InChIKey | LMTDBPXKPJSNCV-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EvhZmErh5pi |
|---|---|
| Name | 3-(4-Propylphenoxy)propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-2-4-11-5-7-12(8-6-11)14-10-3-9-13/h5-8H,2-4,10H2,1H3 |
| InChIKey | LMTDBPXKPJSNCV-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | C1(=CC=C(C=C1)OCCC#N)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972249 |