| SpectraBase Compound ID | EaXM4sZp7Ve |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-5-6-9-12-19-15(17)10-7-8-11-16(18)20-13-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+ |
| InChIKey | IGRRHMWKAQAQFY-AATRIKPKSA-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 | LWV8S7v6mTS |
|---|---|
| Name | Adipic acid, isobutyl trans-hex-3-enyl 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/c1-4-5-6-9-12-19-15(17)10-7-8-11-16(18)20-13-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+ |
| InChIKey | IGRRHMWKAQAQFY-AATRIKPKSA-N |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCC(C)C)=O |