| SpectraBase Compound ID | Ikvsb389rcr |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-13(2)11-19-15(17)9-5-6-10-16(18)20-12-14-7-3-4-8-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | ZSSSIUICDZDGGE-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5UuxEnrPKe |
|---|---|
| Name | Adipic acid, cyclopentylmethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-13(2)11-19-15(17)9-5-6-10-16(18)20-12-14-7-3-4-8-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | ZSSSIUICDZDGGE-UHFFFAOYSA-N |
| SMILES | C1CC(COC(=O)CCCCC(OCC(C)C)=O)CC1 |