| SpectraBase Compound ID | KEWjcsE1V50 |
|---|---|
| InChI | InChI=1S/C9H14O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3-6H2,1-2H3 |
| InChIKey | IUDRJCMDRZEFGO-UHFFFAOYSA-N |
| Mol Weight | 202.21 g/mol |
| Molecular Formula | C9H14O5 |
| Exact Mass | 202.084124 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 | 5JTy1sBkFrO |
|---|---|
| Name | Dimethyl 4-oxoheptane-1,7-dioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.084123546 u |
| Formula | C9H14O5 |
| InChI | InChI=1S/C9H14O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3-6H2,1-2H3 |
| InChIKey | IUDRJCMDRZEFGO-UHFFFAOYSA-N |
| Molecular Weight | 202.206 g/mol |
| SMILES | C(=O)(OC)CCC(CCC(=O)OC)=O |