| SpectraBase Compound ID | DwRmPP6kKs5 |
|---|---|
| InChI | InChI=1S/C19H22O4/c1-14(2)23-19(21)9-5-8-18(20)22-13-15-10-11-16-6-3-4-7-17(16)12-15/h3-4,6-7,10-12,14H,5,8-9,13H2,1-2H3 |
| InChIKey | QWWNKHVIRNWOBZ-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C19H22O4 |
| Exact Mass | 314.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dq8XcO4e4i |
|---|---|
| Name | Glutaric acid, naphth-2-ylmethyl isopropyl 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/c1-14(2)23-19(21)9-5-8-18(20)22-13-15-10-11-16-6-3-4-7-17(16)12-15/h3-4,6-7,10-12,14H,5,8-9,13H2,1-2H3 |
| InChIKey | QWWNKHVIRNWOBZ-UHFFFAOYSA-N |
| Molecular Weight | 314.381 g/mol |
| SMILES | C(CCC(OCC1=CC2=CC=CC=C2C=C1)=O)C(OC(C)C)=O |