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(3E)-1-Acetyl-3-[1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-oxopropylidene]-1,3-dihydro-2H-indol-2-one
SpectraBase Compound ID AObY5uJrVEh
InChI InChI=1S/C26H18ClN3O3/c1-15(31)30-22-9-5-2-6-18(22)24(26(30)33)19(14-23(32)16-10-12-17(27)13-11-16)25-28-20-7-3-4-8-21(20)29-25/h2-13H,14H2,1H3,(H,28,29)/b24-19+
InChIKey OGVLUDKXQNJUBB-LYBHJNIJSA-N
Mol Weight 455.9 g/mol
Molecular Formula C26H18ClN3O3
Exact Mass 455.103669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1riIfXNfdo
Name (3E)-1-Acetyl-3-[1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-3-oxopropylidene]-1,3-dihydro-2H-indol-2-one
Alternate Name(s) (E)-3-(1-(1H-benzo[d]imidazol-2-yl)-3-(4-chlorophenyl)-3-oxopropylidene)-1-acetylindolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18ClN3O3
InChI InChI=1S/C26H18ClN3O3/c1-15(31)30-22-9-5-2-6-18(22)24(26(30)33)19(14-23(32)16-10-12-17(27)13-11-16)25-28-20-7-3-4-8-21(20)29-25/h2-13H,14H2,1H3,(H,28,29)/b24-19+
InChIKey OGVLUDKXQNJUBB-LYBHJNIJSA-N
Literature Reference DOI 10.1002/hc.10175
Molecular Weight 455.901 g/mol
SMILES [nH]1c(nc2c1cccc2)\C(CC(c1ccc(cc1)Cl)=O)=C\1C(N(c2ccccc12)C(C)=O)=O
SPLASH splash10-01pa-5930000000-e49e0d150ed2f5b3ff68
Source of Spectrum HAC-14-440-4d
Wiley ID 1775940