SpectraBase Spectrum ID |
7BoOhT5YSE3 |
Name |
2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(3-methoxyphenyl)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 |
413.089081711 u |
Formula |
C19H16ClN5O4 |
InChI |
InChI=1S/C19H16ClN5O4/c1-29-14-7-3-5-12(9-14)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)13-6-2-4-11(20)8-13/h2-9,16-17H,10H2,1H3,(H,21,26) |
InChIKey |
DWUSSCJDRQGPEF-UHFFFAOYSA-N |
Molecular Weight |
413.821 g/mol |
NMR Offset |
17.9986 |
NMR Spectrometer Frequency |
500.136 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_9770 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13229812 |