| SpectraBase Compound ID | 48ySQAPleXY |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-15(2)7-6-14-25-20(22)18-8-4-5-9-19(18)21(23)26-17-12-10-16(24-3)11-13-17/h4-5,8-13,15H,6-7,14H2,1-3H3 |
| InChIKey | APSHOPZZBBXUHJ-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGmk5oDQxgv |
|---|---|
| Name | Phthalic acid, isohexyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-15(2)7-6-14-25-20(22)18-8-4-5-9-19(18)21(23)26-17-12-10-16(24-3)11-13-17/h4-5,8-13,15H,6-7,14H2,1-3H3 |
| InChIKey | APSHOPZZBBXUHJ-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | CC(C)CCCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O |