| SpectraBase Compound ID | 3lXZWC9zkEg |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-8-15-9-5-6-12-18(15)24-20(22)17-11-7-10-16(14-17)19(21)23-13-4-2/h5-7,9-12,14H,3-4,8,13H2,1-2H3 |
| InChIKey | MXECTTQBVOVVNF-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hkj8I4vNSKS |
|---|---|
| Name | Isophthalic acid, propyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-3-8-15-9-5-6-12-18(15)24-20(22)17-11-7-10-16(14-17)19(21)23-13-4-2/h5-7,9-12,14H,3-4,8,13H2,1-2H3 |
| InChIKey | MXECTTQBVOVVNF-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCCC)C(OC=1C(CCC)=CC=CC1)=O |