| SpectraBase Compound ID | 2QEQti08b41 |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-3-17(14-9-6-5-7-10-14)23-19(21)16-12-8-11-15(13-16)18(20)22-4-2/h5-13,17H,3-4H2,1-2H3 |
| InChIKey | QCQQWHIMVURXKR-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 | wWIWAXPPqE |
|---|---|
| Name | Isophthalic acid, ethyl 1-phenylpropyl 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/c1-3-17(14-9-6-5-7-10-14)23-19(21)16-12-8-11-15(13-16)18(20)22-4-2/h5-13,17H,3-4H2,1-2H3 |
| InChIKey | QCQQWHIMVURXKR-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(OC(C1=CC(=CC=C1)C(OCC)=O)=O)(CC)C1=CC=CC=C1 |