| SpectraBase Compound ID | 9KTjyzmbIyt |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-4-5-6-11-16-25-21(23)18-13-8-9-14-19(18)22(24)26-20-15-10-7-12-17(20)2/h7-10,12-15H,3-6,11,16H2,1-2H3 |
| InChIKey | JNCLVRJDSTWDMP-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KYsg6LFv2fl |
|---|---|
| Name | Phthalic acid, heptyl 2-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/c1-3-4-5-6-11-16-25-21(23)18-13-8-9-14-19(18)22(24)26-20-15-10-7-12-17(20)2/h7-10,12-15H,3-6,11,16H2,1-2H3 |
| InChIKey | JNCLVRJDSTWDMP-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CCCCCCCOC(C1=C(C(OC2=C(C=CC=C2)C)=O)C=CC=C1)=O |