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2-[(thioxanthen-9-yl)methyl]benzimidazole, S,S-dioxide
SpectraBase Compound ID 2Lg1yTc6LOa
InChI InChI=1S/C21H16N2O2S/c24-26(25)19-11-5-1-7-14(19)16(15-8-2-6-12-20(15)26)13-21-22-17-9-3-4-10-18(17)23-21/h1-12,16H,13H2,(H,22,23)
InChIKey NXOCZFXSXILDRS-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C21H16N2O2S
Exact Mass 360.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LL0GVzpfYGJ
Name 9-(1H-Benzimidazol-2-ylmethyl)-9H-thioxanthene-10,10-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2S
InChI InChI=1S/C21H16N2O2S/c24-26(25)19-11-5-1-7-14(19)16(15-8-2-6-12-20(15)26)13-21-22-17-9-3-4-10-18(17)23-21/h1-12,16H,13H2,(H,22,23)
InChIKey NXOCZFXSXILDRS-UHFFFAOYSA-N
Molecular Weight 360.431 g/mol
SMILES [nH]1c2ccccc2nc1CC1c2c(S(c3c1cccc3)(=O)=O)cccc2
SPLASH splash10-001i-3940000000-e944708efb09b305ce17
Source of Spectrum E1-37-1077-4
Synonyms 2-[(5,5-dioxido-10H-dibenzo[b,e]thiopyran-10-yl)methyl]-1H-benzimidazole
Wiley ID 1517630