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4-(3-(1H-benzo[d]imidazol-2-ylamino)-2-benzamido-3-oxoprop-1-enyl)phenyl benzoate
SpectraBase Compound ID kfJM4aTPTC
InChI InChI=1S/C30H22N4O4/c35-27(21-9-3-1-4-10-21)31-26(28(36)34-30-32-24-13-7-8-14-25(24)33-30)19-20-15-17-23(18-16-20)38-29(37)22-11-5-2-6-12-22/h1-19H,(H,31,35)(H2,32,33,34,36)
InChIKey OAZVLTCOSFLMLE-UHFFFAOYSA-N
Mol Weight 502.53 g/mol
Molecular Formula C30H22N4O4
Exact Mass 502.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbSYNZSZDIm
Name 4-(3-(1H-benzo[d]imidazol-2-ylamino)-2-benzamido-3-oxoprop-1-enyl)phenyl benzoate
Appearance Beige powder
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Formula C30H22N4O4
InChI InChI=1S/C30H22N4O4/c35-27(21-9-3-1-4-10-21)31-26(28(36)34-30-32-24-13-7-8-14-25(24)33-30)19-20-15-17-23(18-16-20)38-29(37)22-11-5-2-6-12-22/h1-19H,(H,31,35)(H2,32,33,34,36)
InChIKey OAZVLTCOSFLMLE-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3139
Molecular Weight 502.530 g/mol
SMILES N(C(C(=O)Nc1[nH]c2ccccc2n1)=Cc1ccc(OC(c2ccccc2)=O)cc1)C(=O)c1ccccc1
SPLASH splash10-0ufr-9606200000-81ca0242660a81fed224
Source of Spectrum Y-55-1099-22d
Wiley ID 1879143