| SpectraBase Compound ID | IhONqN3nPu9 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-5-8(3)7-9(4)10(11)12-6-2/h7-8H,5-6H2,1-4H3/b9-7+/t8-/m0/s1 |
| InChIKey | RERDVRSWGQYAKI-INTFFVIUSA-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 | 1fS0rDUYA5P |
|---|---|
| Name | (E,4S)-2,4-Dimethyl-2-hexenoic acid ethyl 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/c1-5-8(3)7-9(4)10(11)12-6-2/h7-8H,5-6H2,1-4H3/b9-7+/t8-/m0/s1 |
| InChIKey | RERDVRSWGQYAKI-INTFFVIUSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(\C(=C\[C@](CC)(C)[H])C)(=O)OCC |