| SpectraBase Compound ID | 7th8t8DGLa9 |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-16(2)12-15-23-18(21)11-9-10-17(20)22-14-8-6-4-3-5-7-13-19/h12H,3-11,13-15H2,1-2H3 |
| InChIKey | ISGAKJDTIGNMEA-UHFFFAOYSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FraylqVf8Ob |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-16(2)12-15-23-18(21)11-9-10-17(20)22-14-8-6-4-3-5-7-13-19/h12H,3-11,13-15H2,1-2H3 |
| InChIKey | ISGAKJDTIGNMEA-UHFFFAOYSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OCCCCCCCCCl)=O |