| SpectraBase Compound ID | Ag1cMSJPsuO |
|---|---|
| InChI | InChI=1S/C16H18O/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | GLNIHKRYVBBTKV-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C16H18O |
| Exact Mass | 226.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | mGIznfY1Ub |
|---|---|
| Name | 1,1'-Biphenyl, 2-butoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.135765199 u |
| Formula | C16H18O |
| InChI | InChI=1S/C16H18O/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | GLNIHKRYVBBTKV-UHFFFAOYSA-N |
| Molecular Weight | 226.319 g/mol |
| SMILES | C(OC1=C(C=CC=C1)C1=CC=CC=C1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950754 |