| SpectraBase Compound ID | IsTLOZALVqV |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-3-21-16(18)14-6-4-5-7-15(14)17(19)22-13-10-8-12(20-2)9-11-13/h4-11H,3H2,1-2H3 |
| InChIKey | JVIJHXNXYBHOPJ-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQvbiIMASoN |
|---|---|
| Name | Phthalic acid, ethyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-3-21-16(18)14-6-4-5-7-15(14)17(19)22-13-10-8-12(20-2)9-11-13/h4-11H,3H2,1-2H3 |
| InChIKey | JVIJHXNXYBHOPJ-UHFFFAOYSA-N |
| SMILES | CCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O |