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3-{[1-(4-chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}propanenitrile
SpectraBase Compound ID 6POk5DIslRu
InChI InChI=1S/C14H13ClN4O2S/c1-10-17-13(19(20)21)14(22-8-2-7-16)18(10)9-11-3-5-12(15)6-4-11/h3-6H,2,8-9H2,1H3
InChIKey KBSRRNXILJDDQF-UHFFFAOYSA-N
Mol Weight 336.8 g/mol
Molecular Formula C14H13ClN4O2S
Exact Mass 336.044775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BQHXBvHizB
Name 3-{[1-(4-chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}propanenitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H13ClN4O2S/c1-10-17-13(19(20)21)14(22-8-2-7-16)18(10)9-11-3-5-12(15)6-4-11/h3-6H,2,8-9H2,1H3
InChIKey KBSRRNXILJDDQF-UHFFFAOYSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4716
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/7945051; Labnumber: AGG-422; IOH_ID: IOH-004717
Temperature 297 °C