| SpectraBase Compound ID | CqSFqt4MPf0 |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h8-9H,5-7H2,1-4H3/b10-8+ |
| InChIKey | PIRMOXUMSSMOIM-CSKARUKUSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iw8MGxbk0x0 |
|---|---|
| Name | (E)-3,7-Dimethyl-2-octenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h8-9H,5-7H2,1-4H3/b10-8+ |
| InChIKey | PIRMOXUMSSMOIM-CSKARUKUSA-N |
| Molecular Weight | 184.279 g/mol |
| Nominal Mass | 184 u |
| SMILES | C(\C=C/(C)CCCC(C)C)(=O)OC |