| SpectraBase Compound ID | LuiM0KQ3opq |
|---|---|
| InChI | InChI=1S/C13H20O/c1-3-4-5-6-10-14-13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey | YDACZHLEDINVIE-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GguL6llTbhy |
|---|---|
| Name | 1-Hexoxy-3-methyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-3-4-5-6-10-14-13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey | YDACZHLEDINVIE-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C=1C(OCCCCCC)=CC=CC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963587 |