| SpectraBase Compound ID | AQ0pN7yXVJW |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-4-12(3)10-11-18-14(16)9-7-6-8-13(15)17-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | XPTWTTLZQRJSAX-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 | Bu4Q9NTAX42 |
|---|---|
| Name | Adipic acid, ethyl 3-methylpentyl 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/c1-4-12(3)10-11-18-14(16)9-7-6-8-13(15)17-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | XPTWTTLZQRJSAX-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(C(OCCC(C)CC)=O)CCCC(OCC)=O |