| SpectraBase Compound ID | LpusRnes8e5 |
|---|---|
| InChI | InChI=1S/C9H20O2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | YJBUXLCNFNPNEB-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C9H20O2 |
| Exact Mass | 160.14633 g/mol |
| SpectraBase Spectrum ID | 28hNoCFd3xI |
|---|---|
| Name | Butane, 2,2'-[methylenebis(oxy)]bis- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.146329882 u |
| Formula | C9H20O2 |
| InChI | InChI=1S/C9H20O2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey | YJBUXLCNFNPNEB-UHFFFAOYSA-N |
| Molecular Weight | 160.257 g/mol |
| SMILES | C(OC(CC)C)OC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943299 |