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Ethyl (E)-2-{N'-[(4-fluorophenyl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID 6RuNjwJ3oRm
InChI InChI=1S/C18H17FN4O4S/c1-3-27-17(24)12-4-9-15-16(10-12)22-18(21-15)20-11(2)23-28(25,26)14-7-5-13(19)6-8-14/h4-10H,3H2,1-2H3,(H2,20,21,22,23)
InChIKey QHZPAESANLUIOS-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C18H17FN4O4S
Exact Mass 404.095454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3y8NtNDxdDe
Name Ethyl (E)-2-{N'-[(4-fluorophenyl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17FN4O4S
InChI InChI=1S/C18H17FN4O4S/c1-3-27-17(24)12-4-9-15-16(10-12)22-18(21-15)20-11(2)23-28(25,26)14-7-5-13(19)6-8-14/h4-10H,3H2,1-2H3,(H2,20,21,22,23)
InChIKey QHZPAESANLUIOS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 404.416 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(c1ccc(cc1)F)=O
SPLASH splash10-0zfs-4490100000-7d77d45fc2ceeb1f4911
Source of Spectrum ARK-2017-235-4i
Wiley ID 1840888