| SpectraBase Spectrum ID |
LLlSfinrvgZ |
| Name |
(3E)-3-[4-(Trifluoromethyl)benzylidene]-1,2-dihydropyrrolo[2,1-B]quinazolin-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.097997535 u |
| Formula |
C19H13F3N2O |
| InChI |
InChI=1S/C19H13F3N2O/c20-19(21,22)14-7-5-12(6-8-14)11-13-9-10-24-17(13)23-16-4-2-1-3-15(16)18(24)25/h1-8,11H,9-10H2/b13-11+ |
| InChIKey |
LPUTZHBOLQOJRR-ACCUITESSA-N |
| Molecular Weight |
342.321 g/mol |
| SMILES |
C1=2N(C(C3=C(N2)C=CC=C3)=O)CC\C1=C\C=1C=CC(C(F)(F)F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94817 |
![(3E)-3-[4-(trifluoromethyl)benzylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one](/api/spectrum/LLlSfinrvgZ/structure.png?h=300&w=458 "(3E)-3-[4-(trifluoromethyl)benzylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one")
