| SpectraBase Compound ID | EpAYBvdPxdQ |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-3-12-22-17(19)15-6-4-5-7-16(15)18(20)23-14-10-8-13(21-2)9-11-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | REXHDZARPGIOGC-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G1opLL8qb48 |
|---|---|
| Name | Phthalic acid, 4-methoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-3-12-22-17(19)15-6-4-5-7-16(15)18(20)23-14-10-8-13(21-2)9-11-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | REXHDZARPGIOGC-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | CCCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O |