| SpectraBase Compound ID | 16iY25emGp |
|---|---|
| InChI | InChI=1S/C19H20O5/c1-3-11-23-18(20)16-9-4-5-10-17(16)19(21)24-13-14-7-6-8-15(12-14)22-2/h4-10,12H,3,11,13H2,1-2H3 |
| InChIKey | XMXVAWFAPQCQSK-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C19H20O5 |
| Exact Mass | 328.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qmxnKNNTWs |
|---|---|
| Name | Phthalic acid, 3-methoxybenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.131073739 u |
| Formula | C19H20O5 |
| InChI | InChI=1S/C19H20O5/c1-3-11-23-18(20)16-9-4-5-10-17(16)19(21)24-13-14-7-6-8-15(12-14)22-2/h4-10,12H,3,11,13H2,1-2H3 |
| InChIKey | XMXVAWFAPQCQSK-UHFFFAOYSA-N |
| Molecular Weight | 328.364 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCC)=O |