| SpectraBase Compound ID | 8jsoKO3cGru |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-4-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-11-12(2)3/h6-8,10H,2,4-5,9,11H2,1,3H3 |
| InChIKey | WEYVRPSMMVNLFS-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 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 | 2k0EhfHedus |
|---|---|
| Name | Isophthalic acid, butyl 2-methylprop-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-4-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-11-12(2)3/h6-8,10H,2,4-5,9,11H2,1,3H3 |
| InChIKey | WEYVRPSMMVNLFS-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCCCC)=O)(OCC(C)=C)=O |