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2-[1-(2-phenylbenzimidazolyl)]-4-phenoxy-4-phenyl-3-butenoic acid
SpectraBase Compound ID FPs6H2wx0zd
InChI InChI=1S/C29H22N2O3/c32-29(33)26(20-27(21-12-4-1-5-13-21)34-23-16-8-3-9-17-23)31-25-19-11-10-18-24(25)30-28(31)22-14-6-2-7-15-22/h1-20,26H,(H,32,33)/b27-20+
InChIKey DIVPARZWBQEHMH-NHFJDJAPSA-N
Mol Weight 446.51 g/mol
Molecular Formula C29H22N2O3
Exact Mass 446.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CD4xVLPwVnQ
Name 2-[1-(2-phenylbenzimidazolyl)]-4-phenoxy-4-phenyl-3-butenoic acid
Alternate Name(s) (3E)-4-phenoxy-4-phenyl-2-(2-phenyl-1H-benzimidazol-1-yl)-3-butenoic acid
CAS Registry Number 103457-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22N2O3
InChI InChI=1S/C29H22N2O3/c32-29(33)26(20-27(21-12-4-1-5-13-21)34-23-16-8-3-9-17-23)31-25-19-11-10-18-24(25)30-28(31)22-14-6-2-7-15-22/h1-20,26H,(H,32,33)/b27-20+
InChIKey DIVPARZWBQEHMH-NHFJDJAPSA-N
Molecular Weight 446.506 g/mol
SMILES OC(C([n]1c(nc2c1cccc2)-c1ccccc1)\C=C/(Oc1ccccc1)c1ccccc1)=O
SPLASH splash10-054o-2403900000-f355102417a76ce2a895
Source of Spectrum J-51-3427-10
Wiley ID 1386800