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4-(benzylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole

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4-(benzylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
SpectraBase Compound ID D31UjvKqkyF
InChI InChI=1S/C23H19N3O3S2/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2
InChIKey DBPOUAOODFTIJD-UHFFFAOYSA-N
Mol Weight 449.54 g/mol
Molecular Formula C23H19N3O3S2
Exact Mass 449.086784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5fhtK2XYrVP
Name 1H-indazole, 6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-[(phenylmethyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.086783829 u
Formula C23H19N3O3S2
InChI InChI=1S/C23H19N3O3S2/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2
InChIKey DBPOUAOODFTIJD-UHFFFAOYSA-N
Molecular Weight 449.543 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16504
Solvent DMSO-d6
Source Vendor ID: NMR/11230122; Lab Info: DAL; Lab Number: Vin-0033