| SpectraBase Compound ID | R0ruOWM639 |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-5-12(11(3)4)18-14(16)10-8-7-9-13(15)17-6-2/h11-12H,5-10H2,1-4H3 |
| InChIKey | XHWGEMANRJNPBQ-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 | BFWObBjeDoS |
|---|---|
| Name | Adipic acid, ethyl 2-methylpent-3-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/c1-5-12(11(3)4)18-14(16)10-8-7-9-13(15)17-6-2/h11-12H,5-10H2,1-4H3 |
| InChIKey | XHWGEMANRJNPBQ-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(C(OC(C(C)C)CC)=O)CCCC(OCC)=O |