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1-[3-(4-Nitrophenyl)prop-2-yn-1-yl]-1,3-dihydro-2H-benzimidazole-2-thione
SpectraBase Compound ID DNOHMsodSOk
InChI InChI=1S/C16H11N3O2S/c20-19(21)13-9-7-12(8-10-13)4-3-11-18-15-6-2-1-5-14(15)17-16(18)22/h1-2,5-10H,11H2,(H,17,22)
InChIKey QYJWENHIWRRULA-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C16H11N3O2S
Exact Mass 309.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELG90wMaEDV
Name 1-[3-(4-Nitrophenyl)prop-2-yn-1-yl]-1,3-dihydro-2H-benzimidazole-2-thione
Alternate Name(s) 1-(3-(4-nitrophenyl)prop-2-yn-1-yl)-1H-benzo[d]imidazole-2(3H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3O2S
InChI InChI=1S/C16H11N3O2S/c20-19(21)13-9-7-12(8-10-13)4-3-11-18-15-6-2-1-5-14(15)17-16(18)22/h1-2,5-10H,11H2,(H,17,22)
InChIKey QYJWENHIWRRULA-UHFFFAOYSA-N
Molecular Weight 309.343 g/mol
SMILES N1c2ccccc2N(C1=S)CC#Cc1ccc(N(=O)=O)cc1
SPLASH splash10-0bt9-1239000000-526c4e358ae3e941a222
Source of Spectrum HC-47-763-2f
Wiley ID 1734167