| SpectraBase Compound ID | 1JmnjWy2C2O |
|---|---|
| InChI | InChI=1S/C14H22O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9,14-15H,2-3,5,10-12H2,1H3 |
| InChIKey | LJYZDGMQIFFFPK-UHFFFAOYSA-N |
| Mol Weight | 206.33 g/mol |
| Molecular Formula | C14H22O |
| Exact Mass | 206.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EbX170Tm7rU |
|---|---|
| Name | 1-Phenyl-3-octanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.167065327 u |
| Formula | C14H22O |
| InChI | InChI=1S/C14H22O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9,14-15H,2-3,5,10-12H2,1H3 |
| InChIKey | LJYZDGMQIFFFPK-UHFFFAOYSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | C=1(C=CC=CC1)CCC(CCCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81976 |