| SpectraBase Compound ID | LXCnkVIlNIv |
|---|---|
| InChI | InChI=1S/C21H18O4/c1-2-13-24-20(22)16-9-5-10-17(14-16)21(23)25-19-12-6-8-15-7-3-4-11-18(15)19/h3-12,14H,2,13H2,1H3 |
| InChIKey | DAVSXTYHXUCMHT-UHFFFAOYSA-N |
| Mol Weight | 334.37 g/mol |
| Molecular Formula | C21H18O4 |
| Exact Mass | 334.120509 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 | 3tGCu0xcwuZ |
|---|---|
| Name | Isophthalic acid, 1-naphthyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.120509056 u |
| Formula | C21H18O4 |
| InChI | InChI=1S/C21H18O4/c1-2-13-24-20(22)16-9-5-10-17(14-16)21(23)25-19-12-6-8-15-7-3-4-11-18(15)19/h3-12,14H,2,13H2,1H3 |
| InChIKey | DAVSXTYHXUCMHT-UHFFFAOYSA-N |
| Molecular Weight | 334.371 g/mol |
| SMILES | C1=CC2=C(C=C1)C=CC=C2OC(C1=CC(=CC=C1)C(OCCC)=O)=O |