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2-Nitro-benzoic acid 1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-benzoimidazol-2-ylmethyl ester
SpectraBase Compound ID HTsToOrIFdb
InChI InChI=1S/C21H20N4O6/c26-20(23-9-11-30-12-10-23)13-24-18-8-4-2-6-16(18)22-19(24)14-31-21(27)15-5-1-3-7-17(15)25(28)29/h1-8H,9-14H2
InChIKey VLLVPSQQVMQNAJ-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C21H20N4O6
Exact Mass 424.138284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3U1QhKJacoe
Name 2-Nitro-benzoic acid 1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-benzoimidazol-2-ylmethyl ester
Alternate Name(s) {1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl}methyl 2-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O6
InChI InChI=1S/C21H20N4O6/c26-20(23-9-11-30-12-10-23)13-24-18-8-4-2-6-16(18)22-19(24)14-31-21(27)15-5-1-3-7-17(15)25(28)29/h1-8H,9-14H2
InChIKey VLLVPSQQVMQNAJ-UHFFFAOYSA-N
Molecular Weight 424.413 g/mol
SMILES c1ccc2[n](c(nc2c1)COC(c1c(N(=O)=O)cccc1)=O)CC(N1CCOCC1)=O
SPLASH splash10-0fk9-4950000000-90810340f0872aadc1b9
Wiley ID 1454586