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Ethyl (E)-2-(N'-tosylacetimidamido)-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID eLQzHoDVCO
InChI InChI=1S/C19H20N4O4S/c1-4-27-18(24)14-7-10-16-17(11-14)22-19(21-16)20-13(3)23-28(25,26)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H2,20,21,22,23)
InChIKey BOXDALRKZZOPIF-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C19H20N4O4S
Exact Mass 400.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kxSCjozz3A
Name Ethyl (E)-2-(N'-tosylacetimidamido)-1H-benzimidazole-5-carboxylate
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N4O4S
InChI InChI=1S/C19H20N4O4S/c1-4-27-18(24)14-7-10-16-17(11-14)22-19(21-16)20-13(3)23-28(25,26)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H2,20,21,22,23)
InChIKey BOXDALRKZZOPIF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 400.453 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0f6y-9380100000-bd678e039e31643e1363
Source of Spectrum ARK-2017-235-4g
Wiley ID 1840886