| SpectraBase Compound ID | 2YY4NfZR6GO |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-14-6-3-8-16(12-14)22-18(20)10-5-11-19(21)23-17-9-4-7-15(2)13-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3 |
| InChIKey | JQMOSWULUPHZLC-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPjR8OCHxve |
|---|---|
| Name | Glutaric acid, di(3-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-14-6-3-8-16(12-14)22-18(20)10-5-11-19(21)23-17-9-4-7-15(2)13-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3 |
| InChIKey | JQMOSWULUPHZLC-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(OC1=CC=CC(=C1)C)(=O)CCCC(OC1=CC(C)=CC=C1)=O |