| SpectraBase Compound ID | 2JavQKrk1s |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-5-20-16(18)10-7-11-17(19)21-13-12-15(4)9-6-8-14(2)3/h8,12H,5-7,9-11,13H2,1-4H3/b15-12- |
| InChIKey | HKXDZRFCGLNFGT-QINSGFPZSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XSMvXqllgx |
|---|---|
| Name | Glutaric acid, ethyl neryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-5-20-16(18)10-7-11-17(19)21-13-12-15(4)9-6-8-14(2)3/h8,12H,5-7,9-11,13H2,1-4H3/b15-12- |
| InChIKey | HKXDZRFCGLNFGT-QINSGFPZSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OCC)=O)C(OC\C=C\(C)CCC=C(C)C)=O |