| SpectraBase Spectrum ID |
DcyxVbThf0W |
| Name |
Dimethyl 4-benzoyl-3-trifluoromethylcyclobut-2-ene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.071508003 u |
| Formula |
C16H13F3O5 |
| InChI |
InChI=1S/C16H13F3O5/c1-23-14(21)9-10(13(20)8-6-4-3-5-7-8)12(16(17,18)19)11(9)15(22)24-2/h3-7,9-10H,1-2H3 |
| InChIKey |
HJXCXKKLAOKWRZ-UHFFFAOYSA-N |
| Molecular Weight |
342.270 g/mol |
| SMILES |
C1(C(=C(C1C(C=1C=CC=CC1)=O)C(F)(F)F)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987461 |
