| SpectraBase Compound ID | 49TVf3zTo2D |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-3-12-23-18(21)15-9-4-5-10-16(15)19(22)24-17-11-7-6-8-14(17)13(2)20/h4-11H,3,12H2,1-2H3 |
| InChIKey | BAFRKMYWHOTBDP-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBpheuzcl8G |
|---|---|
| Name | Phthalic acid, 2-acethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-3-12-23-18(21)15-9-4-5-10-16(15)19(22)24-17-11-7-6-8-14(17)13(2)20/h4-11H,3,12H2,1-2H3 |
| InChIKey | BAFRKMYWHOTBDP-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)C(=O)OC1=C(C(C)=O)C=CC=C1)=O)CC |