| SpectraBase Compound ID | LFc6Is1k53r |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-4-5-6-9-15-25-21(23)19-13-7-8-14-20(19)22(24)26-18-12-10-11-17(2)16-18/h7-8,10-14,16H,3-6,9,15H2,1-2H3 |
| InChIKey | PESAVKHEZMBCHU-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Y4x7TKNOsC |
|---|---|
| Name | Phthalic acid, heptyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-3-4-5-6-9-15-25-21(23)19-13-7-8-14-20(19)22(24)26-18-12-10-11-17(2)16-18/h7-8,10-14,16H,3-6,9,15H2,1-2H3 |
| InChIKey | PESAVKHEZMBCHU-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC(=C1)C)=O)C(=O)OCCCCCCC |