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ethyl ({1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
SpectraBase Compound ID JYzJHTZhNGy
InChI InChI=1S/C21H23N3O3S/c1-4-27-20(26)13-28-21-23-16-7-5-6-8-18(16)24(21)12-19(25)22-17-11-14(2)9-10-15(17)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKey XDNAGPQODXKCSS-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jf8heoZtLRd
Name ethyl ({1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
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/C21H23N3O3S/c1-4-27-20(26)13-28-21-23-16-7-5-6-8-18(16)24(21)12-19(25)22-17-11-14(2)9-10-15(17)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKey XDNAGPQODXKCSS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2808
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: D04859; Labnumber: MVERET-0894; SBI_ID: SBI-002810
Temperature 318 °C