| SpectraBase Compound ID | FvKLRZZEwli |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-13(2,3)11-14-9-10-15-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3 |
| InChIKey | BLFGDFWMWQLFGQ-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 | 5MUkyUQf2XE |
|---|---|
| Name | 2-Phenoxyethanol, neopentyl ether |
| 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/c1-13(2,3)11-14-9-10-15-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3 |
| InChIKey | BLFGDFWMWQLFGQ-UHFFFAOYSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C1(=CC=CC=C1)OCCOCC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91538 |