| SpectraBase Compound ID | Dpxkps6PZT0 |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-5-6-7-8-9-12(10-13(15)17-2)11-14(16)18-3/h6-9,12H,4-5,10-11H2,1-3H3/b7-6+,9-8+ |
| InChIKey | RQPOIQYGRWZKNY-BLHCBFLLSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkZzcBgUGwG |
|---|---|
| Name | 3-(Hepta-1,3-dien-1-yl)pentanedioic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-4-5-6-7-8-9-12(10-13(15)17-2)11-14(16)18-3/h6-9,12H,4-5,10-11H2,1-3H3/b7-6+,9-8+ |
| InChIKey | RQPOIQYGRWZKNY-BLHCBFLLSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(CC(CC(=O)OC)\C=C\C=C\CCC)(=O)OC |