| SpectraBase Compound ID | LVn59BCXD83 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-5-8-11-14-23-17(20)19(6-2,7-3)18(21)24-16-13-10-9-12-15(16)22-4/h9-10,12-13H,5-8,11,14H2,1-4H3 |
| InChIKey | NOYSQRFSCVTPIL-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BkraB8sDbjV |
|---|---|
| Name | Diethylmalonic acid, 2-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-5-8-11-14-23-17(20)19(6-2,7-3)18(21)24-16-13-10-9-12-15(16)22-4/h9-10,12-13H,5-8,11,14H2,1-4H3 |
| InChIKey | NOYSQRFSCVTPIL-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC |