| SpectraBase Compound ID | 6roTAelj5QQ |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-16(2)8-6-9-18(5)13-15-24-20(22)11-7-10-19(21)23-14-12-17(3)4/h8,12-13H,6-7,9-11,14-15H2,1-5H3/b18-13- |
| InChIKey | VCOHZZNXGZGPPW-AQTBWJFISA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8guk097w4Q1 |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl neryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-16(2)8-6-9-18(5)13-15-24-20(22)11-7-10-19(21)23-14-12-17(3)4/h8,12-13H,6-7,9-11,14-15H2,1-5H3/b18-13- |
| InChIKey | VCOHZZNXGZGPPW-AQTBWJFISA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC\C=C\(C)CCC=C(C)C)=O |