| SpectraBase Compound ID | G0x5Ssgm6e5 |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-7-11-16(6-2)22-18(20)13-8-12-17(19)21-14-9-10-15(3)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | DXMNGTJJWIZYHA-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 | 9iMlYGXruO3 |
|---|---|
| Name | Glutaric acid, 3-heptyl isohexyl 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/c1-5-7-11-16(6-2)22-18(20)13-8-12-17(19)21-14-9-10-15(3)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | DXMNGTJJWIZYHA-UHFFFAOYSA-N |
| SMILES | CCC(OC(CCCC(OCCCC(C)C)=O)=O)CCCC |