| SpectraBase Compound ID | 2HxKYHGTwO7 |
|---|---|
| InChI | InChI=1S/C19H20O5/c1-3-4-12-23-18(20)14-6-5-7-15(13-14)19(21)24-17-10-8-16(22-2)9-11-17/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | HLICASAZEVDFBG-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C19H20O5 |
| Exact Mass | 328.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4a8uTjWw22A |
|---|---|
| Name | Isophthalic acid, butyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.131073739 u |
| Formula | C19H20O5 |
| InChI | InChI=1S/C19H20O5/c1-3-4-12-23-18(20)14-6-5-7-15(13-14)19(21)24-17-10-8-16(22-2)9-11-17/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | HLICASAZEVDFBG-UHFFFAOYSA-N |
| Molecular Weight | 328.364 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C1=CC(=CC=C1)C(OCCCC)=O)=O)OC |