| SpectraBase Compound ID | FnM3CN2P8cH |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-11-12-15-22-17(20)19(9-4,10-5)18(21)23-16(13-7-2)14-8-3/h16H,6-15H2,1-5H3 |
| InChIKey | CNFOIZRCELILKU-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ztS5qrDL4Y |
|---|---|
| Name | Diethylmalonic acid, hept-4-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-6-11-12-15-22-17(20)19(9-4,10-5)18(21)23-16(13-7-2)14-8-3/h16H,6-15H2,1-5H3 |
| InChIKey | CNFOIZRCELILKU-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(C(C(OCCCCC)=O)(C(OC(CCC)CCC)=O)CC)C |