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N-Benzyl-4-(2-((2-phenoxyethyl)thio)-1H-benzo[d]imidazol-1-yl)butanamide
SpectraBase Compound ID 1R3HVDactL5
InChI InChI=1S/C26H27N3O2S/c30-25(27-20-21-10-3-1-4-11-21)16-9-17-29-24-15-8-7-14-23(24)28-26(29)32-19-18-31-22-12-5-2-6-13-22/h1-8,10-15H,9,16-20H2,(H,27,30)
InChIKey UXQKXUIYVOXEMM-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C26H27N3O2S
Exact Mass 445.182398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSLzeRZY7Yq
Name N-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 C26H27N3O2S
InChI InChI=1S/C26H27N3O2S/c30-25(27-20-21-10-3-1-4-11-21)16-9-17-29-24-15-8-7-14-23(24)28-26(29)32-19-18-31-22-12-5-2-6-13-22/h1-8,10-15H,9,16-20H2,(H,27,30)
InChIKey UXQKXUIYVOXEMM-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C6RA05702K
Molecular Weight 445.581 g/mol
SMILES N(C(CCC[n]1c(nc2c1cccc2)SCCOc1ccccc1)=O)Cc1ccccc1
SPLASH splash10-004i-4509100000-e81fd4966498805b00d9
Source of Spectrum RSA-6-39573/SM27-17a
Wiley ID 1807172