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(E)-N-(2,2-Difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-N'-[(4-fluorophenyl)sulfonyl]acetimidamide
SpectraBase Compound ID CwMN5oj8WjO
InChI InChI=1S/C16H11F3N4O4S/c1-8(23-28(24,25)10-4-2-9(17)3-5-10)20-15-21-11-6-13-14(7-12(11)22-15)27-16(18,19)26-13/h2-7H,1H3,(H2,20,21,22,23)
InChIKey AMGKWLOSAPGOCH-UHFFFAOYSA-N
Mol Weight 412.34 g/mol
Molecular Formula C16H11F3N4O4S
Exact Mass 412.045311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbrH9BJtcQo
Name (E)-N-(2,2-Difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-N'-[(4-fluorophenyl)sulfonyl]acetimidamide
Appearance Light yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N4O4S
InChI InChI=1S/C16H11F3N4O4S/c1-8(23-28(24,25)10-4-2-9(17)3-5-10)20-15-21-11-6-13-14(7-12(11)22-15)27-16(18,19)26-13/h2-7H,1H3,(H2,20,21,22,23)
InChIKey AMGKWLOSAPGOCH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 412.343 g/mol
SMILES [nH]1c(nc2cc3c(cc12)OC(F)(F)O3)N\C(C)=N\S(c1ccc(F)cc1)(=O)=O
SPLASH splash10-03dj-6690200000-e6da9d4fc34dc9e2f436
Source of Spectrum ARK-2017-236-4o
Wiley ID 1840894