| SpectraBase Compound ID | bLiiAVTpx2 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-9(2)10(11)12-3/h2,4-8H2,1,3H3 |
| InChIKey | PXISPLICAYMBBX-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bfav5YT4exl |
|---|---|
| Name | Octanoic acid, 2-methylene-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-9(2)10(11)12-3/h2,4-8H2,1,3H3 |
| InChIKey | PXISPLICAYMBBX-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C(C(OC)=O)=C)CCCCC |