| SpectraBase Compound ID | 8d8ZYFc1Oz9 |
|---|---|
| InChI | InChI=1S/C10H16O5/c1-7(10(13)15-3)8(11)5-4-6-9(12)14-2/h8,11H,1,4-6H2,2-3H3 |
| InChIKey | KSSHYAUTEXLBIV-UHFFFAOYSA-N |
| Mol Weight | 216.23 g/mol |
| Molecular Formula | C10H16O5 |
| Exact Mass | 216.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9b1BMlgwdKC |
|---|---|
| Name | 3-Hydroxy-2-methylene-pimelic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.099773610 u |
| Formula | C10H16O5 |
| InChI | InChI=1S/C10H16O5/c1-7(10(13)15-3)8(11)5-4-6-9(12)14-2/h8,11H,1,4-6H2,2-3H3 |
| InChIKey | KSSHYAUTEXLBIV-UHFFFAOYSA-N |
| Molecular Weight | 216.233 g/mol |
| SMILES | C(C(=O)OC)(=C)C(O)CCCC(=O)OC |