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Ethyl (E)-2-[N'-(methylsulfonyl)acetimidamido]-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID A2NCjoftusg
InChI InChI=1S/C13H16N4O4S/c1-4-21-12(18)9-5-6-10-11(7-9)16-13(15-10)14-8(2)17-22(3,19)20/h5-7H,4H2,1-3H3,(H2,14,15,16,17)
InChIKey DVUKZVOXQRUBHS-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C13H16N4O4S
Exact Mass 324.089226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cZZDgaOfS3
Name Ethyl (E)-2-[N'-(methylsulfonyl)acetimidamido]-1H-benzimidazole-5-carboxylate
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N4O4S
InChI InChI=1S/C13H16N4O4S/c1-4-21-12(18)9-5-6-10-11(7-9)16-13(15-10)14-8(2)17-22(3,19)20/h5-7H,4H2,1-3H3,(H2,14,15,16,17)
InChIKey DVUKZVOXQRUBHS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 324.355 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(C)=O
SPLASH splash10-0udi-2793000000-d1f6534c222860425b46
Source of Spectrum ARK-2017-234-4f
Wiley ID 1840885