| SpectraBase Compound ID | BfH4SafAtw8 |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-5-11(3)13-12-8-6-10(2)7-9-12/h4,6-9,11H,1,5H2,2-3H3 |
| InChIKey | XHLSHBOOOWKKSH-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IC8d1UmvQXb |
|---|---|
| Name | 4-(4-Methylphenoxy)-1-pentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-4-5-11(3)13-12-8-6-10(2)7-9-12/h4,6-9,11H,1,5H2,2-3H3 |
| InChIKey | XHLSHBOOOWKKSH-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(=C)CC(OC=1C=CC(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883441 |