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Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxy-4-methoxyphenyl)-1H-benzo[d]imidazole-5-carboxylate
SpectraBase Compound ID 4HWJIgYA3wf
InChI InChI=1S/C23H24N4O4/c1-23(2,3)19-12-20(26-25-19)27-16-8-6-14(22(29)31-5)10-15(16)24-21(27)13-7-9-18(30-4)17(28)11-13/h6-12,28H,1-5H3,(H,25,26)
InChIKey NTOVINSJULGVRS-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C23H24N4O4
Exact Mass 420.179755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNMvHdcaf1J
Name Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxy-4-methoxyphenyl)-1H-benzo[d]imidazole-5-carboxylate
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820793
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N4O4
InChI InChI=1S/C23H24N4O4/c1-23(2,3)19-12-20(26-25-19)27-16-8-6-14(22(29)31-5)10-15(16)24-21(27)13-7-9-18(30-4)17(28)11-13/h6-12,28H,1-5H3,(H,25,26)
InChIKey NTOVINSJULGVRS-UHFFFAOYSA-N
Molecular Weight 420.469 g/mol
SMILES Oc1cc(-c2[n](-c3n[nH]c(c3)C(C)(C)C)c3c(n2)cc(cc3)C(=O)OC)ccc1OC
SPLASH splash10-004i-9000000000-a8f26409d82d31ce421f
Source of Spectrum F2-46-4068-11h
Wiley ID 1689957