| SpectraBase Compound ID | EmNGLPPgCXZ |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-14(2)9-8-12-21-17(19)10-6-7-11-18(20)22-16(5)13-15(3)4/h14-16H,6-13H2,1-5H3 |
| InChIKey | JOAOJJJTRPWSEV-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 | E1HhuMbCc74 |
|---|---|
| Name | Adipic acid, isohexyl 4-methylpent-2-yl 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/c1-14(2)9-8-12-21-17(19)10-6-7-11-18(20)22-16(5)13-15(3)4/h14-16H,6-13H2,1-5H3 |
| InChIKey | JOAOJJJTRPWSEV-UHFFFAOYSA-N |
| SMILES | C(C(OC(C)CC(C)C)=O)CCCC(OCCCC(C)C)=O |