| SpectraBase Compound ID | FA1rZTlSxWO |
|---|---|
| InChI | InChI=1S/C13H20O/c1-4-5-6-9-14-13-8-7-11(2)12(3)10-13/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | IRMOYNLPWDUXPP-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 | 4zXiKPTB1TE |
|---|---|
| Name | 3,4-Dimethylphenyl pentyl ether |
| 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/c1-4-5-6-9-14-13-8-7-11(2)12(3)10-13/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | IRMOYNLPWDUXPP-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C(OC1=CC=C(C(=C1)C)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975344 |