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1-(1H-benzimidazol-2-ylsulfanylmethyl)-3,3-dimethyl-4H-isoquinoline
SpectraBase Compound ID 4p0nYvLXRYK
InChI InChI=1S/C19H19N3S/c1-19(2)11-13-7-3-4-8-14(13)17(22-19)12-23-18-20-15-9-5-6-10-16(15)21-18/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKey PNSCAIWYNDYTJT-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C19H19N3S
Exact Mass 321.129969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RhZhkHVO0g
Name 1-(1H-benzimidazol-2-ylsulfanylmethyl)-3,3-dimethyl-4H-isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3S
InChI InChI=1S/C19H19N3S/c1-19(2)11-13-7-3-4-8-14(13)17(22-19)12-23-18-20-15-9-5-6-10-16(15)21-18/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKey PNSCAIWYNDYTJT-UHFFFAOYSA-N
Molecular Weight 321.442 g/mol
SMILES [nH]1c2ccccc2nc1SCC1=NC(C)(C)Cc2c1cccc2
SPLASH splash10-00dr-1954000000-ed1ef307bf4538921292
Synonyms 1-[(1H-benzimidazol-2-ylsulfanyl)methyl]-3,3-dimethyl-3,4-dihydroisoquinoline 1-[(1H-benzimidazol-2-ylthio)methyl]-3,3-dimethyl-4H-isoquinoline
Wiley ID 1511246