SpectraBase Spectrum ID |
uklHZAspdH |
Name |
Phthalic acid, isobutyl 2,2,2-trifluoro-1-phenylethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
380.123543577 u |
Formula |
C20H19F3O4 |
InChI |
InChI=1S/C20H19F3O4/c1-13(2)12-26-18(24)15-10-6-7-11-16(15)19(25)27-17(20(21,22)23)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3 |
InChIKey |
NULJIZNCIIFYQB-UHFFFAOYSA-N |
Molecular Weight |
380.363 g/mol |
SMILES |
C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCC(C)C)=O |