| SpectraBase Compound ID | EmywBHbPc9T |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-4-5-12-21-14-15-23-18(20)11-7-6-10-17(19)22-13-8-9-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | DSBOJHHSSNPPLM-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 | EVtKPRjSE1M |
|---|---|
| Name | Adipic acid, 2-butoxyethyl isohexyl 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/c1-4-5-12-21-14-15-23-18(20)11-7-6-10-17(19)22-13-8-9-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | DSBOJHHSSNPPLM-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(=O)(CCCCC(OCCCC(C)C)=O)OCCOCCCC |