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N-(3,5-Bis(trifluoromethyl)benzyl)-4-(2-((2-phenoxyethyl)thio)-1H-benzo[d]imidazol-1-yl)butanamide
SpectraBase Compound ID 1CMRQ1fcwtd
InChI InChI=1S/C28H25F6N3O2S/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)18-35-25(38)11-6-12-37-24-10-5-4-9-23(24)36-26(37)40-14-13-39-22-7-2-1-3-8-22/h1-5,7-10,15-17H,6,11-14,18H2,(H,35,38)
InChIKey LBBYPGBSROMMJI-UHFFFAOYSA-N
Mol Weight 581.58 g/mol
Molecular Formula C28H25F6N3O2S
Exact Mass 581.157167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PGpWJG6xzv
Name N-(3,5-Bis(trifluoromethyl)benzyl)-4-(2-((2-phenoxyethyl)thio)-1H-benzo[d]imidazol-1-yl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25F6N3O2S
InChI InChI=1S/C28H25F6N3O2S/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)18-35-25(38)11-6-12-37-24-10-5-4-9-23(24)36-26(37)40-14-13-39-22-7-2-1-3-8-22/h1-5,7-10,15-17H,6,11-14,18H2,(H,35,38)
InChIKey LBBYPGBSROMMJI-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C6RA05702K
Molecular Weight 581.577 g/mol
SMILES N(C(CCC[n]1c(nc2c1cccc2)SCCOc1ccccc1)=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH splash10-0wml-4900510000-e44850d37f07070da08b
Source of Spectrum RSA-6-39573/SM27-17b
Wiley ID 1807173