| SpectraBase Compound ID | 3a2jOmBuNpX |
|---|---|
| InChI | InChI=1S/C13H20O/c1-3-4-5-10-14-11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey | VYWRZFKFPKKOLU-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3lxkiqykmzk |
|---|---|
| Name | (4-Methylphenyl) methanol, N-pentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-3-4-5-10-14-11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey | VYWRZFKFPKKOLU-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C1=CC(=CC=C1COCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831128 |