| SpectraBase Compound ID | 1xCqZKOEAMk |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-2-3-7-10-8-5-4-6-9/h9H,2-8H2,1H3 |
| InChIKey | OBXQRJAQMQQZMY-UHFFFAOYSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C8H18O2 |
| Exact Mass | 146.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6a9hvIhGTmd |
|---|---|
| Name | 1-Butanol, 4-butoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.130679818 u |
| Formula | C8H18O2 |
| InChI | InChI=1S/C8H18O2/c1-2-3-7-10-8-5-4-6-9/h9H,2-8H2,1H3 |
| InChIKey | OBXQRJAQMQQZMY-UHFFFAOYSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | C(OCCCC)CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.99085 |