| SpectraBase Compound ID | 28XcihTJrMw |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-4-7-10-16-25-20(23)22(5-2,6-3)21(24)26-19-15-11-13-17-12-8-9-14-18(17)19/h8-9,11-15H,4-7,10,16H2,1-3H3 |
| InChIKey | HEHCRBYIGPISEZ-UHFFFAOYSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C22H28O4 |
| Exact Mass | 356.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jMtlSLzGJo |
|---|---|
| Name | Diethylmalonic acid, 1-naphthyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.198759378 u |
| Formula | C22H28O4 |
| InChI | InChI=1S/C22H28O4/c1-4-7-10-16-25-20(23)22(5-2,6-3)21(24)26-19-15-11-13-17-12-8-9-14-18(17)19/h8-9,11-15H,4-7,10,16H2,1-3H3 |
| InChIKey | HEHCRBYIGPISEZ-UHFFFAOYSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC |