| SpectraBase Compound ID | 43q8wA5uI3a |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3 |
| InChIKey | SRSJHOHVTWICQC-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I3FlOdcBQBP |
|---|---|
| Name | Benzene, 2-butyl-1,3-dimethoxy-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3 |
| InChIKey | SRSJHOHVTWICQC-UHFFFAOYSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C=1(C(=CC(=CC1OC)C)OC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917829 |