| SpectraBase Spectrum ID |
AnCXexA0x9H |
| Name |
Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.170493770 u |
| Formula |
C19H25F3O4 |
| InChI |
InChI=1S/C19H25F3O4/c1-5-18(6-2,16(23)25-11-13(3)4)17(24)26-12-14-7-9-15(10-8-14)19(20,21)22/h7-10,13H,5-6,11-12H2,1-4H3 |
| InChIKey |
AUTUXSPXKHAABW-UHFFFAOYSA-N |
| Molecular Weight |
374.400 g/mol |
| SMILES |
CCC(C(OCC(C)C)=O)(C(OCC1=CC=C(C=C1)C(F)(F)F)=O)CC |
