| SpectraBase Compound ID | IXoGr4sjKRC |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-5-17-13(15)9-10-14(16)18-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey | MMJZBYYSCSEULF-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OTJGuGnxaG |
|---|---|
| Name | Succinic acid, ethyl 6-methylhept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-5-17-13(15)9-10-14(16)18-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey | MMJZBYYSCSEULF-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(CCC(OC(CCCC(C)C)C)=O)(OCC)=O |