| SpectraBase Compound ID | BhfwZlpo5lG |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-3-11-16(2)23-18(21)13-10-12-17(20)22-15-9-7-5-4-6-8-14-19/h3,16H,1,4-15H2,2H3 |
| InChIKey | GZOONNDXDRTSNT-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 | FfPOdfJbDJ8 |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl pent-4-en-2-yl 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/c1-3-11-16(2)23-18(21)13-10-12-17(20)22-15-9-7-5-4-6-8-14-19/h3,16H,1,4-15H2,2H3 |
| InChIKey | GZOONNDXDRTSNT-UHFFFAOYSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC(C)CC=C)=O |