| SpectraBase Compound ID | J2We3FFKqbW |
|---|---|
| InChI | InChI=1S/C11H18O5/c1-3-16-11(14)6-4-5-9(12)7-8-10(13)15-2/h3-8H2,1-2H3 |
| InChIKey | DLCCHFXAAMNZRK-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C11H18O5 |
| Exact Mass | 230.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | NdXF6t4Xws |
|---|---|
| Name | Octanedioic acid, 4-oxo-, 8-ethyl 1-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.115423675 u |
| Formula | C11H18O5 |
| InChI | InChI=1S/C11H18O5/c1-3-16-11(14)6-4-5-9(12)7-8-10(13)15-2/h3-8H2,1-2H3 |
| InChIKey | DLCCHFXAAMNZRK-UHFFFAOYSA-N |
| Molecular Weight | 230.260 g/mol |
| SMILES | C(=O)(CCC(=O)CCCC(=O)OCC)OC |