| SpectraBase Compound ID | 16GpVh042J |
|---|---|
| InChI | InChI=1S/C22H18O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3 |
| InChIKey | LIBNNSNDAMJTFG-UHFFFAOYSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C22H18O4 |
| Exact Mass | 346.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEgjSTjSS7B |
|---|---|
| Name | Isophthalic acid, di(2-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.120509056 u |
| Formula | C22H18O4 |
| InChI | InChI=1S/C22H18O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3 |
| InChIKey | LIBNNSNDAMJTFG-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | CC1=CC=CC=C1OC(C=1C=C(C(OC2=CC=CC=C2C)=O)C=CC1)=O |