For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl (E)-2-{N'-[(2,1,3-benzoxadiazol-4-yl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID AFzERKkbzSQ
InChI InChI=1S/C18H16N6O5S/c1-3-28-17(25)11-7-8-12-14(9-11)21-18(20-12)19-10(2)24-30(26,27)15-6-4-5-13-16(15)23-29-22-13/h4-9H,3H2,1-2H3,(H2,19,20,21,24)
InChIKey RYBHFFMMBADSOZ-UHFFFAOYSA-N
Mol Weight 428.42 g/mol
Molecular Formula C18H16N6O5S
Exact Mass 428.090289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ECbTinqreDk
Name Ethyl (E)-2-{N'-[(2,1,3-benzoxadiazol-4-yl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N6O5S
InChI InChI=1S/C18H16N6O5S/c1-3-28-17(25)11-7-8-12-14(9-11)21-18(20-12)19-10(2)24-30(26,27)15-6-4-5-13-16(15)23-29-22-13/h4-9H,3H2,1-2H3,(H2,19,20,21,24)
InChIKey RYBHFFMMBADSOZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 428.423 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(c1c2c(ccc1)non2)=O
SPLASH splash10-00fr-2149000000-ab0c62796fdfc4e24dfc
Source of Spectrum ARK-2017-236-4l
Wiley ID 1840891