| SpectraBase Compound ID | 1nAfGOzsJgZ |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-2-22-18(20)10-4-3-5-11-19(21)23-17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14H,2-5,10-11H2,1H3 |
| InChIKey | LTLZWADKIZGYPX-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C19H22O4 |
| Exact Mass | 314.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CruZbWT2egA |
|---|---|
| Name | Pimelic acid, ethyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.151809184 u |
| Formula | C19H22O4 |
| InChI | InChI=1S/C19H22O4/c1-2-22-18(20)10-4-3-5-11-19(21)23-17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14H,2-5,10-11H2,1H3 |
| InChIKey | LTLZWADKIZGYPX-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | C(OC1=CC=C2C(=C1)C=CC=C2)(=O)CCCCCC(OCC)=O |