| SpectraBase Spectrum ID |
K5AsOffT4xf |
| Name |
2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(4-fluorophenyl)acetamide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.069095159 u |
| Formula |
C18H13ClFN5O3 |
| InChI |
InChI=1S/C18H13ClFN5O3/c19-10-2-1-3-13(8-10)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-12-6-4-11(20)5-7-12/h1-8,15-16H,9H2,(H,21,26) |
| InChIKey |
BWHGNSYALJOVLF-UHFFFAOYSA-N |
| Molecular Weight |
401.785 g/mol |
| NMR Offset |
17.9991 |
| NMR Spectrometer Frequency |
500.136 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9777 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13229819 |
![2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(4-fluorophenyl)acetamide](/api/spectrum/K5AsOffT4xf/structure.png?h=300&w=458 "2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(4-fluorophenyl)acetamide")
