| SpectraBase Compound ID | FcPL9cQ8tjM |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4,6-8H,1,5,9H2,2-3H3 |
| InChIKey | XNIMALIBHNSNHY-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 | 9qOx2rGvWx |
|---|---|
| Name | 3-Butenyl-(2,6-dimethyl-phenyl)-ether |
| 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/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4,6-8H,1,5,9H2,2-3H3 |
| InChIKey | XNIMALIBHNSNHY-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C=1(OCCC=C)C(=CC=CC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929472 |