| SpectraBase Compound ID | 7ONn2U2gW7b |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-5-10(6-2,8(11)13-4)9(12)14-7-3/h5-7H2,1-4H3 |
| InChIKey | KOMATNWMXWHSLA-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fcetnfkrAY |
|---|---|
| Name | Propanedioic acid, diethyl-, ethyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-5-10(6-2,8(11)13-4)9(12)14-7-3/h5-7H2,1-4H3 |
| InChIKey | KOMATNWMXWHSLA-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | COC(C(C(OCC)=O)(CC)CC)=O |