| SpectraBase Compound ID | EmGPtLVgYBZ |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-5-8-16(4)24-20(22)18-9-6-7-10-19(18)21(23)25-17-12-11-14(2)15(3)13-17/h6-7,9-13,16H,5,8H2,1-4H3 |
| InChIKey | SHOQQWLWGFRZES-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 | 4tRwOnf7bcP |
|---|---|
| Name | Phthalic acid, 3,4-dimethylphenyl 2-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/c1-5-8-16(4)24-20(22)18-9-6-7-10-19(18)21(23)25-17-12-11-14(2)15(3)13-17/h6-7,9-13,16H,5,8H2,1-4H3 |
| InChIKey | SHOQQWLWGFRZES-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(=C(C=C1)C)C)=O)C(OC(C)CCC)=O |