| SpectraBase Compound ID | 4KcFg7b6cd5 |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-10-20-16(18)14-8-5-9-15(12-14)17(19)21-11-6-7-13(2)3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3 |
| InChIKey | KBVGLKSECQAYHG-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 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 | 9BemySlPbWJ |
|---|---|
| Name | Isophthalic acid, isohexyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-10-20-16(18)14-8-5-9-15(12-14)17(19)21-11-6-7-13(2)3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3 |
| InChIKey | KBVGLKSECQAYHG-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(C=1C=C(C(OCCC)=O)C=CC1)=O |