| SpectraBase Spectrum ID |
6PZfQmrohyi |
| Name |
6-[(Dimethylamino)methyl]-5-[(4-fluorophenyl)carbonyl]-1,3-dimethylpyrimidine-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.133219612 u |
| Formula |
C16H18FN3O3 |
| InChI |
InChI=1S/C16H18FN3O3/c1-18(2)9-12-13(15(22)20(4)16(23)19(12)3)14(21)10-5-7-11(17)8-6-10/h5-8H,9H2,1-4H3 |
| InChIKey |
PLVTYNABYCVCDX-UHFFFAOYSA-N |
| Molecular Weight |
319.336 g/mol |
| SMILES |
CN1C(=C(C(N(C)C1=O)=O)C(C=1C=CC(=CC1)F)=O)CN(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862965 |
![2,4(1H,3H)-pyrimidinedione, 6-[(dimethylamino)methyl]-5-(4-fluorobenzoyl)-1,3-dimethyl-](/api/spectrum/6PZfQmrohyi/structure.png?h=300&w=458 "2,4(1H,3H)-pyrimidinedione, 6-[(dimethylamino)methyl]-5-(4-fluorobenzoyl)-1,3-dimethyl-")
