| SpectraBase Compound ID | 56q548CZhUQ |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-4-10-20-16(18)14-8-5-9-15(12-14)17(19)21-11-6-7-13(2)3/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3 |
| InChIKey | JAKVUMNUGACAFV-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 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 | EPuq5HBEDb7 |
|---|---|
| Name | Isophthalic acid, allyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-4-10-20-16(18)14-8-5-9-15(12-14)17(19)21-11-6-7-13(2)3/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3 |
| InChIKey | JAKVUMNUGACAFV-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1C(OCC=C)=O)C(OCCCC(C)C)=O |