| SpectraBase Spectrum ID |
IQRgtqMtQ0M |
| Name |
4-[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.052920859 u |
| Formula |
C19H13FN2O5S |
| InChI |
InChI=1S/C19H13FN2O5S/c1-26-15-8-10(7-13-16(23)21-19(28)22-17(13)24)5-6-14(15)27-18(25)11-3-2-4-12(20)9-11/h2-9H,1H3,(H2,21,22,23,24,28) |
| InChIKey |
XGSSOHAYWSDJHT-UHFFFAOYSA-N |
| Molecular Weight |
400.380 g/mol |
| SMILES |
N1C(NC(C(C1=O)=CC=1C=C(OC)C(OC(C=2C=C(F)C=CC2)=O)=CC1)=O)=S |
![4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate](/api/spectrum/IQRgtqMtQ0M/structure.png?h=300&w=458 "4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate")
