| SpectraBase Compound ID | JseSWJVtybB |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-3-12-21-17(19)14-9-5-6-10-15(14)18(20)22-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3 |
| InChIKey | UZNVHEQNWTVZEH-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OBLLn3kNDI |
|---|---|
| Name | Phthalic acid, 2-methylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-3-12-21-17(19)14-9-5-6-10-15(14)18(20)22-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3 |
| InChIKey | UZNVHEQNWTVZEH-UHFFFAOYSA-N |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCCC)(OC1=C(C=CC=C1)C)=O |