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Ethyl ({1-[(4-methylphenyl)sulfonyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
SpectraBase Compound ID I9mc2hrqO
InChI InChI=1S/C18H18N2O4S2/c1-3-24-17(21)12-25-18-19-15-6-4-5-7-16(15)20(18)26(22,23)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKey QPOKWSUSOIQWCD-UHFFFAOYSA-N
Mol Weight 390.47 g/mol
Molecular Formula C18H18N2O4S2
Exact Mass 390.070799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3s7XRY2PQks
Name acetic acid, [[1-[(4-methylphenyl)sulfonyl]-1H-benzimidazol-2-yl]thio]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.070799412 u
Formula C18H18N2O4S2
InChI InChI=1S/C18H18N2O4S2/c1-3-24-17(21)12-25-18-19-15-6-4-5-7-16(15)20(18)26(22,23)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKey QPOKWSUSOIQWCD-UHFFFAOYSA-N
Molecular Weight 390.472 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17454
Solvent DMSO-d6
Source Vendor ID: NMR/10311356; Lab Info: LP; Lab Number: LP-3701290