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ethanone, 1-(1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)thio]-
SpectraBase Compound ID Cuy8twrPOxi
InChI InChI=1S/C13H12N2O3S/c1-15-5-4-14-13(15)19-7-10(16)9-2-3-11-12(6-9)18-8-17-11/h2-6H,7-8H2,1H3
InChIKey LZZRCCILIHSZOJ-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JxTLBtSB8kA
Name ethanone, 1-(1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)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 276.056863425 u
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-15-5-4-14-13(15)19-7-10(16)9-2-3-11-12(6-9)18-8-17-11/h2-6H,7-8H2,1H3
InChIKey LZZRCCILIHSZOJ-UHFFFAOYSA-N
Molecular Weight 276.310 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9968
Solvent DMSO-d6
Source Vendor ID: NMR/9231306; Lab Info: L-25; Lab Number: L-25,Dontsova