| SpectraBase Compound ID | 3KGiYuhhjJh |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-11(10-12(14)15-2)6-5-9-17-13-7-3-4-8-16-13/h10,13H,3-9H2,1-2H3/b11-10+ |
| InChIKey | BOKKZHWQDYSZBL-ZHACJKMWSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Gq4U8jAcxc |
|---|---|
| Name | (E)-3-Methyl-6-(2-oxanyloxy)-2-hexenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-11(10-12(14)15-2)6-5-9-17-13-7-3-4-8-16-13/h10,13H,3-9H2,1-2H3/b11-10+ |
| InChIKey | BOKKZHWQDYSZBL-ZHACJKMWSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(\C=C\(CCCOC1OCCCC1)C)(=O)OC |