SpectraBase Spectrum ID |
EjcTr4Zs391 |
Name |
acetic acid, [[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]thio]-, methyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
415.083806447 u |
Formula |
C19H17N3O6S |
InChI |
InChI=1S/C19H17N3O6S/c1-26-16(23)11-29-15-10-13(22(24)25)9-14-17(15)18(19-27-7-8-28-19)20-21(14)12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3 |
InChIKey |
OLFPJRKLDRVGRL-UHFFFAOYSA-N |
Molecular Weight |
415.420 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_16702 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11230134; Lab Info: DAL; Lab Number: Vin-0045 |