| SpectraBase Spectrum ID |
9vyUFMp9ra3 |
| Name |
(3-Allyl-4-oxo-9-phenyl-pyrimido[1,6-A]pyrimidin-2-yl) acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.111341352 u |
| Formula |
C18H15N3O3 |
| InChI |
InChI=1S/C18H15N3O3/c1-3-7-14-17(24-12(2)22)20-16-15(13-8-5-4-6-9-13)10-19-11-21(16)18(14)23/h3-6,8-11H,1,7H2,2H3 |
| InChIKey |
LBXVJVKSGKMVMR-UHFFFAOYSA-N |
| Molecular Weight |
321.336 g/mol |
| SMILES |
C1=2N(C(=O)C(=C(N2)OC(=O)C)CC=C)C=NC=C1C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892044 |
![(3-Allyl-4-oxo-9-phenyl-pyrimido[1,6-A]pyrimidin-2-yl) acetate](/api/spectrum/9vyUFMp9ra3/structure.png?h=300&w=458 "(3-Allyl-4-oxo-9-phenyl-pyrimido[1,6-A]pyrimidin-2-yl) acetate")
