| SpectraBase Compound ID | 6KozsiFw1b6 |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-8(7-11-2)5-4-6-9(10)12-3/h1,4-7H2,2-3H3 |
| InChIKey | STLWFDHKKNYAHS-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 660MeMthrZH |
|---|---|
| Name | 5-Methoxymethyl-5-hexenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-8(7-11-2)5-4-6-9(10)12-3/h1,4-7H2,2-3H3 |
| InChIKey | STLWFDHKKNYAHS-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(CCCC(COC)=C)(OC)=O |