| SpectraBase Spectrum ID |
BRbbSkhQFcg |
| Name |
{2-[(Z)-(1-(4-Methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.106255971 u |
| Formula |
C20H15N3O4 |
| InChI |
InChI=1S/C20H15N3O4/c1-13-6-8-15(9-7-13)23-19(25)16(18(24)22-20(23)26)12-14-4-2-3-5-17(14)27-11-10-21/h2-9,12H,11H2,1H3,(H,22,24,26)/b16-12- |
| InChIKey |
BEGBMWNZKMTWQT-VBKFSLOCSA-N |
| Molecular Weight |
361.357 g/mol |
| SMILES |
N1C(\C(C(N(C1=O)C=1C=CC(=CC1)C)=O)=C/C=1C(OCC#N)=CC=CC1)=O |
![{2-[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetonitrile](/api/spectrum/BRbbSkhQFcg/structure.png?h=300&w=458 "{2-[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetonitrile")
