| SpectraBase Compound ID | 3Mv2CPcas7l |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-6-7-9-15(4)21-17(19)11-8-10-16(18)20-13-12-14(2)3/h12,15H,5-11,13H2,1-4H3 |
| InChIKey | VIZDVRDQAABPRI-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kK7xsGV1Vt |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-6-7-9-15(4)21-17(19)11-8-10-16(18)20-13-12-14(2)3/h12,15H,5-11,13H2,1-4H3 |
| InChIKey | VIZDVRDQAABPRI-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(CCCCC)C)=O |