| SpectraBase Spectrum ID |
KV9tN9SM4m3 |
| Name |
Diethyl 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 |
370.102808131 u |
| Formula |
C18H17F3O5 |
| InChI |
InChI=1S/C18H17F3O5/c1-3-25-16(23)11-12(15(22)10-8-6-5-7-9-10)14(18(19,20)21)13(11)17(24)26-4-2/h5-9,11-12H,3-4H2,1-2H3 |
| InChIKey |
MDENJIKPUBJKDM-UHFFFAOYSA-N |
| Molecular Weight |
370.324 g/mol |
| SMILES |
C1(C(=C(C1C(C=1C=CC=CC1)=O)C(F)(F)F)C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987403 |
