| SpectraBase Compound ID | 6dERDHzWqVT |
|---|---|
| InChI | InChI=1S/C13H19BrO2/c1-2-3-4-9-15-10-11-16-13-7-5-12(14)6-8-13/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | MPMOMEHZRDDVAS-UHFFFAOYSA-N |
| Mol Weight | 287.2 g/mol |
| Molecular Formula | C13H19BrO2 |
| Exact Mass | 286.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6copxskDzIE |
|---|---|
| Name | 2-(4-Bromophenoxy)ethanol, N-pentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.056842850 u |
| Formula | C13H19BrO2 |
| InChI | InChI=1S/C13H19BrO2/c1-2-3-4-9-15-10-11-16-13-7-5-12(14)6-8-13/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | MPMOMEHZRDDVAS-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Br)OCCOCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933008 |