| SpectraBase Compound ID | HfKY4KV5yTF |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-4-5-6-13-24-20(22)17-10-8-11-18(15-17)21(23)25-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3 |
| InChIKey | JQDUWZQHTPKMGC-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 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 | 3KvwBoRlTWd |
|---|---|
| Name | Isophthalic acid, hexyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-3-4-5-6-13-24-20(22)17-10-8-11-18(15-17)21(23)25-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3 |
| InChIKey | JQDUWZQHTPKMGC-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O |