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2-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
SpectraBase Compound ID FbUPTdIdS9U
InChI InChI=1S/C29H25N3OS/c33-28(31-24-16-15-22-14-13-21-9-6-10-23(24)29(21)22)19-34-18-27-30-25-11-4-5-12-26(25)32(27)17-20-7-2-1-3-8-20/h1-12,15-16H,13-14,17-19H2,(H,31,33)
InChIKey ABNCYYJDKRVZHG-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C29H25N3OS
Exact Mass 463.171834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3J8pXdGDu3q
Name 2-[(1-Benzylbenzimidazol-2-yl)methylsulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.171833610 u
Formula C29H25N3OS
InChI InChI=1S/C29H25N3OS/c33-28(31-24-16-15-22-14-13-21-9-6-10-23(24)29(21)22)19-34-18-27-30-25-11-4-5-12-26(25)32(27)17-20-7-2-1-3-8-20/h1-12,15-16H,13-14,17-19H2,(H,31,33)
InChIKey ABNCYYJDKRVZHG-UHFFFAOYSA-N
Molecular Weight 463.599 g/mol
SMILES C=1C=CC(CN2C(=NC3=C2C=CC=C3)CSCC(NC2=C3C=4C(CCC4C=C2)=CC=C3)=O)=CC1