| SpectraBase Compound ID | 1OfPBxqueOK |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-13(2)8-7-11-22-18(20)16-9-6-10-17(12-16)19(21)23-15(5)14(3)4/h6,9-10,12-15H,7-8,11H2,1-5H3 |
| InChIKey | GZXNSKQTDJVZHR-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | 85sUwYjUber |
|---|---|
| Name | Isophthalic acid, isohexyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-13(2)8-7-11-22-18(20)16-9-6-10-17(12-16)19(21)23-15(5)14(3)4/h6,9-10,12-15H,7-8,11H2,1-5H3 |
| InChIKey | GZXNSKQTDJVZHR-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C(OC(C1=CC(C(OCCCC(C)C)=O)=CC=C1)=O)C)(C)C |