| SpectraBase Compound ID | ng4agOPW3a |
|---|---|
| InChI | InChI=1S/C11H16O/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | DKSLDFDKIYEFGU-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GsfzAUxF4ny |
|---|---|
| Name | 1-Butan-2-yloxy-3-methyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | DKSLDFDKIYEFGU-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(OC(CC)C)=CC(C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910033 |