| SpectraBase Compound ID | IGhqLTXbXAu |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | ZXEWECPOIXUDES-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 | CTjIArg4Dty |
|---|---|
| Name | Phthalic acid, butyl phenyl 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/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | ZXEWECPOIXUDES-UHFFFAOYSA-N |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCCCC)(OC1=CC=CC=C1)=O |