| SpectraBase Compound ID | 7PbE1tkp7oi |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-7-11-8-5-6-9-12(11)13-10(2)3/h5-6,8-10H,4,7H2,1-3H3 |
| InChIKey | LEVJAFQJMRYDEO-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8KpBRAC4UqO |
|---|---|
| Name | 2-Propylphenol, isopropyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-4-7-11-8-5-6-9-12(11)13-10(2)3/h5-6,8-10H,4,7H2,1-3H3 |
| InChIKey | LEVJAFQJMRYDEO-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(=CC=CC=C1OC(C)C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920885 |