| SpectraBase Compound ID | AFv1ANbQh51 |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-4-5-8-13-24-20(22)18-9-6-7-10-19(18)21(23)25-17-12-11-15(2)16(3)14-17/h6-7,9-12,14H,4-5,8,13H2,1-3H3 |
| InChIKey | FIWKBETWRLNLFJ-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 | LoH7khj8bwv |
|---|---|
| Name | Phthalic acid, 3,4-dimethylphenyl 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/c1-4-5-8-13-24-20(22)18-9-6-7-10-19(18)21(23)25-17-12-11-15(2)16(3)14-17/h6-7,9-12,14H,4-5,8,13H2,1-3H3 |
| InChIKey | FIWKBETWRLNLFJ-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CCCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)C)=O)C=CC=C1)=O |