| SpectraBase Compound ID | GSozwkveApc |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-13(2)12-21-17(19)14-7-6-8-15(11-14)18(20)22-16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3 |
| InChIKey | UAVWUYDEXWAJFS-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 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 | BFJMGZ4344A |
|---|---|
| Name | Isophthalic acid, isobutyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-13(2)12-21-17(19)14-7-6-8-15(11-14)18(20)22-16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3 |
| InChIKey | UAVWUYDEXWAJFS-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCC(C)C)=O)(OC1=CC=CC=C1)=O |