| SpectraBase Compound ID | cS46uC1pzy |
|---|---|
| InChI | InChI=1S/C9H20O2/c1-3-4-5-9(8-10)6-7-11-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | FQWOXVAQRPFCTE-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C9H20O2 |
| Exact Mass | 160.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UcVFLsJ2qR |
|---|---|
| Name | 1-Methoxy-3-hydroxymethylheptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.146329882 u |
| Formula | C9H20O2 |
| InChI | InChI=1S/C9H20O2/c1-3-4-5-9(8-10)6-7-11-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | FQWOXVAQRPFCTE-UHFFFAOYSA-N |
| Molecular Weight | 160.257 g/mol |
| SMILES | C(OC)CC(CCCC)CO |