| SpectraBase Compound ID | 9uQzV3hFNER |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey | NPRGEYSLJVYPPJ-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVbTBLeYkwb |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey | NPRGEYSLJVYPPJ-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCC(C)(C)C)=O |