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1H-benzimidazole, 2-[[(6-chloro-1,3-benzodioxol-5-yl)methyl]thio]-4-methyl-
SpectraBase Compound ID GEF6n9jf9ko
InChI InChI=1S/C16H13ClN2O2S/c1-9-3-2-4-12-15(9)19-16(18-12)22-7-10-5-13-14(6-11(10)17)21-8-20-13/h2-6H,7-8H2,1H3,(H,18,19)
InChIKey HUUYFKDVDXNCTF-UHFFFAOYSA-N
Mol Weight 332.81 g/mol
Molecular Formula C16H13ClN2O2S
Exact Mass 332.038627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5IUZA3y0FGf
Name 1H-benzimidazole, 2-[[(6-chloro-1,3-benzodioxol-5-yl)methyl]thio]-4-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.038626539 u
Formula C16H13ClN2O2S
InChI InChI=1S/C16H13ClN2O2S/c1-9-3-2-4-12-15(9)19-16(18-12)22-7-10-5-13-14(6-11(10)17)21-8-20-13/h2-6H,7-8H2,1H3,(H,18,19)
InChIKey HUUYFKDVDXNCTF-UHFFFAOYSA-N
Molecular Weight 332.805 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5709
Solvent DMSO-d6
Source Vendor ID: NMR/9301315; Lab Info: SAD; Lab Number: SAD-DAST954