| SpectraBase Compound ID | EnQN8wnFFYC |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-4-9-14-24-20(22)18-12-7-8-13-19(18)21(23)25-15-17-11-6-5-10-16(17)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3 |
| InChIKey | DNSZTPUAHCDWBQ-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 | IPdZ54DyC8W |
|---|---|
| Name | Phthalic acid, 2-methylbenzyl pentyl 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/c1-3-4-9-14-24-20(22)18-12-7-8-13-19(18)21(23)25-15-17-11-6-5-10-16(17)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3 |
| InChIKey | DNSZTPUAHCDWBQ-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCC |