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Ethyl (E)-2-{N'-[(4-methoxyphenyl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID Idl6aTlfKgQ
InChI InChI=1S/C19H20N4O5S/c1-4-28-18(24)13-5-10-16-17(11-13)22-19(21-16)20-12(2)23-29(25,26)15-8-6-14(27-3)7-9-15/h5-11H,4H2,1-3H3,(H2,20,21,22,23)
InChIKey XCAYZKJFLOXXFE-UHFFFAOYSA-N
Mol Weight 416.45 g/mol
Molecular Formula C19H20N4O5S
Exact Mass 416.115441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZcdHPQE3gJ
Name Ethyl (E)-2-{N'-[(4-methoxyphenyl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N4O5S
InChI InChI=1S/C19H20N4O5S/c1-4-28-18(24)13-5-10-16-17(11-13)22-19(21-16)20-12(2)23-29(25,26)15-8-6-14(27-3)7-9-15/h5-11H,4H2,1-3H3,(H2,20,21,22,23)
InChIKey XCAYZKJFLOXXFE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 416.452 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(c1ccc(cc1)OC)=O
SPLASH splash10-08or-4927000000-d5e22b1ebb9c69ab1771
Source of Spectrum ARK-2017-235-4h
Wiley ID 1840887