| SpectraBase Compound ID | GI8h8U4xKi |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-3-22-17(19)14-9-5-6-10-15(14)18(20)23-12-13-8-4-7-11-16(13)21-2/h4-11H,3,12H2,1-2H3 |
| InChIKey | NQUUDDAQKDUNDZ-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 | BEEnMqErXDm |
|---|---|
| Name | Phthalic acid, ethyl 2-methoxybenzyl 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/c1-3-22-17(19)14-9-5-6-10-15(14)18(20)23-12-13-8-4-7-11-16(13)21-2/h4-11H,3,12H2,1-2H3 |
| InChIKey | NQUUDDAQKDUNDZ-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCC)=O |