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(2E)-3-(3-Ethoxy-4-hydroxy-5-iodophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)-2-propenenitrile
SpectraBase Compound ID DY6bCxzVcUy
InChI InChI=1S/C19H16IN3O2/c1-3-25-17-9-12(8-14(20)18(17)24)7-13(10-21)19-22-15-5-4-11(2)6-16(15)23-19/h4-9,24H,3H2,1-2H3,(H,22,23)/b13-7+
InChIKey BXDHYFNWZOMSPI-NTUHNPAUSA-N
Mol Weight 445.26 g/mol
Molecular Formula C19H16IN3O2
Exact Mass 445.028722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lbsa8bhkRqS
Name (2E)-3-(3-Ethoxy-4-hydroxy-5-iodophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)-2-propenenitrile
Alternate Name(s) Propennitrile, 3-(4-hydroxy-3-iodo-5-ethoxyphenyl)-2-(5-methyl-2-benzoimidazolyl)-
CAS Registry Number 312632-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16IN3O2
InChI InChI=1S/C19H16IN3O2/c1-3-25-17-9-12(8-14(20)18(17)24)7-13(10-21)19-22-15-5-4-11(2)6-16(15)23-19/h4-9,24H,3H2,1-2H3,(H,22,23)/b13-7+
InChIKey BXDHYFNWZOMSPI-NTUHNPAUSA-N
Molecular Weight 445.260 g/mol
SMILES [nH]1c2ccc(cc2nc1\C(=C\c1cc(c(c(c1)I)O)OCC)C#N)C
SPLASH splash10-002k-3371900000-e3a1e5b270ffcf23f0da
Source of Spectrum AD-0-2532-0
Wiley ID 1431483