SpectraBase Compound ID | 3OEpFNEVttZ |
---|---|
InChI | InChI=1S/C18H16F2O4/c1-11(2)10-23-17(21)15-5-3-4-6-16(15)18(22)24-14-8-12(19)7-13(20)9-14/h3-9,11H,10H2,1-2H3 |
InChIKey | IECYWUOWGSYCLC-UHFFFAOYSA-N |
Mol Weight | 334.32 g/mol |
Molecular Formula | C18H16F2O4 |
Exact Mass | 334.101665 g/mol |
SpectraBase Spectrum ID | Eovn09XXjCD |
---|---|
Name | Phthalic acid, 3,5-difluorophenyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 334.101665317 u |
Formula | C18H16F2O4 |
InChI | InChI=1S/C18H16F2O4/c1-11(2)10-23-17(21)15-5-3-4-6-16(15)18(22)24-14-8-12(19)7-13(20)9-14/h3-9,11H,10H2,1-2H3 |
InChIKey | IECYWUOWGSYCLC-UHFFFAOYSA-N |
Molecular Weight | 334.319 g/mol |
SMILES | C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(OCC(C)C)=O)=O |