| SpectraBase Compound ID | 3UinJnWVGzV |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-4-5-10-15-24-20(22)17-12-7-8-13-18(17)21(23)25-19-14-9-6-11-16(19)2/h6-9,11-14H,3-5,10,15H2,1-2H3 |
| InChIKey | KABQZTUQSYFWOY-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 | FJ98vQT6uhb |
|---|---|
| Name | Phthalic acid, hexyl 2-methylphenyl 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/c1-3-4-5-10-15-24-20(22)17-12-7-8-13-18(17)21(23)25-19-14-9-6-11-16(19)2/h6-9,11-14H,3-5,10,15H2,1-2H3 |
| InChIKey | KABQZTUQSYFWOY-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CCCCCCOC(C1=C(C(OC2=C(C=CC=C2)C)=O)C=CC=C1)=O |