| SpectraBase Spectrum ID |
EQgKfSz9ybj |
| Name |
di-Tert-butyl 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 |
426.165408389 u |
| Formula |
C22H25F3O5 |
| InChI |
InChI=1S/C22H25F3O5/c1-20(2,3)29-18(27)13-14(17(26)12-10-8-7-9-11-12)16(22(23,24)25)15(13)19(28)30-21(4,5)6/h7-11,13-14H,1-6H3 |
| InChIKey |
QYMWYECEUHZYJA-UHFFFAOYSA-N |
| Molecular Weight |
426.432 g/mol |
| SMILES |
C1(C(=C(C1C(C=1C=CC=CC1)=O)C(F)(F)F)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943683 |
