| SpectraBase Compound ID | 4rWpSoHoHbm |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-3-4-5-6-9(10)12-8-7-11-2/h3-8H2,1-2H3 |
| InChIKey | WHFYLHIOEPSQJH-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ho9iGLNQCJQ |
|---|---|
| Name | Hexanoic acid, 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-3-4-5-6-9(10)12-8-7-11-2/h3-8H2,1-2H3 |
| InChIKey | WHFYLHIOEPSQJH-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(CCCCC)(=O)OCCOC |