| SpectraBase Compound ID | 9FEbm3oSb3V |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-15(2)8-7-12-22-17(19)9-5-6-10-18(20)23-14-16(3)11-13-21-4/h15-16H,5-14H2,1-4H3 |
| InChIKey | VGFIAHCQJBTEQV-UHFFFAOYSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C18H34O5 |
| Exact Mass | 330.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjKhgAJUsor |
|---|---|
| Name | Adipic acid, isohexyl 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.240624190 u |
| Formula | C18H34O5 |
| InChI | InChI=1S/C18H34O5/c1-15(2)8-7-12-22-17(19)9-5-6-10-18(20)23-14-16(3)11-13-21-4/h15-16H,5-14H2,1-4H3 |
| InChIKey | VGFIAHCQJBTEQV-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(CC(=O)OCC(CCOC)C)CCC(OCCCC(C)C)=O |