| SpectraBase Spectrum ID |
JaedRQ4QbDE |
| Name |
2,4,6(1H,3H,5H)-pyrimidinetrione, 1-[(4-fluorophenyl)methyl]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-, (5E)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.065927894 u |
| Formula |
C19H12FN3O7 |
| InChI |
InChI=1S/C19H12FN3O7/c20-12-3-1-10(2-4-12)8-22-18(25)13(17(24)21-19(22)26)5-11-6-15-16(30-9-29-15)7-14(11)23(27)28/h1-7H,8-9H2,(H,21,24,26)/b13-5+ |
| InChIKey |
OXQVHAFMICJWQS-WLRTZDKTSA-N |
| Molecular Weight |
413.317 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17613 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10321751; Lab Info: LP; Lab Number: LP-1708294 |
![(5E)-1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione](/api/spectrum/JaedRQ4QbDE/structure.png?h=300&w=458 "(5E)-1-(4-fluorobenzyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione")
