| SpectraBase Compound ID | EaxxEV3yOhO |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-16(2)15-25-21(23)19-13-7-6-12-18(19)20(22)24-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14-15H2,1-2H3 |
| InChIKey | HUTMQLVNRRXUKD-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KO6DPAzC1J |
|---|---|
| Name | Phthalic acid, isobutyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-16(2)15-25-21(23)19-13-7-6-12-18(19)20(22)24-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14-15H2,1-2H3 |
| InChIKey | HUTMQLVNRRXUKD-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CC(C)COC(C1=CC=CC=C1C(OCCCC1=CC=CC=C1)=O)=O |