| SpectraBase Spectrum ID |
2LGlhFRskNi |
| Name |
1,2,3,4-Tetrahydro-6H-pyrimido[2,1-B]quinazolin-6-one, N-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.072511061 u |
| Formula |
C13H10F3N3O2 |
| InChI |
InChI=1S/C13H10F3N3O2/c14-13(15,16)11(21)19-7-3-6-18-10(20)8-4-1-2-5-9(8)17-12(18)19/h1-2,4-5H,3,6-7H2 |
| InChIKey |
ALLATKGHFJSTJA-UHFFFAOYSA-N |
| Molecular Weight |
297.237 g/mol |
| SMILES |
C1N2C(N(CC1)C(C(F)(F)F)=O)=NC1=C(C2=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973403 |
![1,2,3,4-Tetrahydro-6H-pyrimido[2,1-B]quinazolin-6-one, N-trifluoroacetyl-](/api/spectrum/2LGlhFRskNi/structure.png?h=300&w=458 "1,2,3,4-Tetrahydro-6H-pyrimido[2,1-B]quinazolin-6-one, N-trifluoroacetyl-")
