SpectraBase Spectrum ID |
A6DDWYIJhfq |
Name |
1H-isoindole-1,3(2H)-dione, 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
428.024911845 u |
Formula |
C18H12N4O5S2 |
InChI |
InChI=1S/C18H12N4O5S2/c1-2-28-18-20-19-17(29-18)21-15(23)13-8-7-12(9-14(13)16(21)24)27-11-5-3-10(4-6-11)22(25)26/h3-9H,2H2,1H3 |
InChIKey |
PLLYOUKEOWNNRK-UHFFFAOYSA-N |
Molecular Weight |
428.437 g/mol |
NMR Offset |
16.0087 |
NMR Spectrometer Frequency |
500.133 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_4227 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9264095; Lab Info: LN; Lab Number: LN-000002b |