| SpectraBase Compound ID | 6mqTGgDTHfg |
|---|---|
| InChI | InChI=1S/C22H26O5/c1-3-4-5-6-9-16-26-21(23)19-10-7-8-11-20(19)22(24)27-18-14-12-17(25-2)13-15-18/h7-8,10-15H,3-6,9,16H2,1-2H3 |
| InChIKey | JYUPVLQDRMYZCE-UHFFFAOYSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C22H26O5 |
| Exact Mass | 370.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7obK6ggq589 |
|---|---|
| Name | Phthalic acid, heptyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.178023932 u |
| Formula | C22H26O5 |
| InChI | InChI=1S/C22H26O5/c1-3-4-5-6-9-16-26-21(23)19-10-7-8-11-20(19)22(24)27-18-14-12-17(25-2)13-15-18/h7-8,10-15H,3-6,9,16H2,1-2H3 |
| InChIKey | JYUPVLQDRMYZCE-UHFFFAOYSA-N |
| Molecular Weight | 370.445 g/mol |
| SMILES | CCCCCCCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O |