| SpectraBase Compound ID | 9FXMaX6bdP6 |
|---|---|
| InChI | InChI=1S/C13H18O/c1-11(2)9-10-13(14-3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3 |
| InChIKey | UYDTXTQIRSMCDZ-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4CVwwzWZj2P |
|---|---|
| Name | Benzene, (1-methoxy-4-methyl-3-pentenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-11(2)9-10-13(14-3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3 |
| InChIKey | UYDTXTQIRSMCDZ-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C1=CC(C(CC=C(C)C)OC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968155 |