| SpectraBase Compound ID | 4nU3KpsdUSp |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-7-8-10-16(6-2)22-18(20)12-9-11-17(19)21-14-13-15(3)4/h13,16H,5-12,14H2,1-4H3 |
| InChIKey | OGRURBAORLKAHA-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5UULEyDYLx |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-7-8-10-16(6-2)22-18(20)12-9-11-17(19)21-14-13-15(3)4/h13,16H,5-12,14H2,1-4H3 |
| InChIKey | OGRURBAORLKAHA-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(CCCCC)CC)=O |