| SpectraBase Compound ID | ER0tAb3ejxv |
|---|---|
| InChI | InChI=1S/C19H20O6/c1-4-11-24-18(20)13-7-5-8-14(12-13)19(21)25-17-15(22-2)9-6-10-16(17)23-3/h5-10,12H,4,11H2,1-3H3 |
| InChIKey | AQHCTGJEARXVSV-UHFFFAOYSA-N |
| Mol Weight | 344.36 g/mol |
| Molecular Formula | C19H20O6 |
| Exact Mass | 344.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HI3J8z9BTSK |
|---|---|
| Name | Isophthalic acid, 2,6-dimethoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.125988358 u |
| Formula | C19H20O6 |
| InChI | InChI=1S/C19H20O6/c1-4-11-24-18(20)13-7-5-8-14(12-13)19(21)25-17-15(22-2)9-6-10-16(17)23-3/h5-10,12H,4,11H2,1-3H3 |
| InChIKey | AQHCTGJEARXVSV-UHFFFAOYSA-N |
| Molecular Weight | 344.363 g/mol |
| SMILES | C1(=C(C(=CC=C1)OC)OC(C1=CC(C(OCCC)=O)=CC=C1)=O)OC |