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1H-indazole, 3-(1,3-dioxolan-2-yl)-4-[(2-methylpropyl)thio]-6-nitro-1-phenyl-
SpectraBase Compound ID 2r98uQFVczR
InChI InChI=1S/C20H21N3O4S/c1-13(2)12-28-17-11-15(23(24)25)10-16-18(17)19(20-26-8-9-27-20)21-22(16)14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9,12H2,1-2H3
InChIKey UMUNTHXWAXUQCB-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HgSrqmOu2DH
Name 1H-indazole, 3-(1,3-dioxolan-2-yl)-4-[(2-methylpropyl)thio]-6-nitro-1-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.125277338 u
Formula C20H21N3O4S
InChI InChI=1S/C20H21N3O4S/c1-13(2)12-28-17-11-15(23(24)25)10-16-18(17)19(20-26-8-9-27-20)21-22(16)14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9,12H2,1-2H3
InChIKey UMUNTHXWAXUQCB-UHFFFAOYSA-N
Molecular Weight 399.465 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16507
Solvent DMSO-d6
Source Vendor ID: NMR/11230138; Lab Info: DAL; Lab Number: Vin-0049