| SpectraBase Compound ID | LsDDDAxdmRw |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-4-5-6-9-15-25-21(23)18-12-7-8-13-19(18)22(24)26-20-14-10-11-16(2)17(20)3/h7-8,10-14H,4-6,9,15H2,1-3H3 |
| InChIKey | WTJKEQFITWUUBS-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 | ElLvnErqIT6 |
|---|---|
| Name | Phthalic acid, 2,3-dimethylphenyl hexyl 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/c1-4-5-6-9-15-25-21(23)18-12-7-8-13-19(18)22(24)26-20-14-10-11-16(2)17(20)3/h7-8,10-14H,4-6,9,15H2,1-3H3 |
| InChIKey | WTJKEQFITWUUBS-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O |