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1-[2-(3-Nitrophenyl)-2-oxoethyl]-2-[(morpholine-4-yl)-thioxomethyl]benzimidazole
SpectraBase Compound ID 64rdZ58tMY3
InChI InChI=1S/C20H18N4O4S/c25-18(14-4-3-5-15(12-14)24(26)27)13-23-17-7-2-1-6-16(17)21-19(23)20(29)22-8-10-28-11-9-22/h1-7,12H,8-11,13H2
InChIKey BTQYUGLRRAYEPK-UHFFFAOYSA-N
Mol Weight 410.45 g/mol
Molecular Formula C20H18N4O4S
Exact Mass 410.104876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is5hFVbkK2i
Name 1-[2-(3-Nitrophenyl)-2-oxoethyl]-2-[(morpholine-4-yl)-thioxomethyl]benzimidazole
Alternate Name(s) 2-(2-(morpholine-4-carbonothioyl)-1H-benzo[d]imidazol-1-yl)-1-(3-nitrophenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O4S
InChI InChI=1S/C20H18N4O4S/c25-18(14-4-3-5-15(12-14)24(26)27)13-23-17-7-2-1-6-16(17)21-19(23)20(29)22-8-10-28-11-9-22/h1-7,12H,8-11,13H2
InChIKey BTQYUGLRRAYEPK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201200452
Molecular Weight 410.448 g/mol
SMILES c1([n](c2c(cccc2)n1)CC(=O)c1cc(ccc1)[N+](=O)[O-])C(=S)N1CCOCC1
SPLASH splash10-03di-2142900000-af08d02d2c4f2dac4e12
Source of Spectrum APC-346-411-7
Wiley ID 1769481