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3-(1-Phenyl-2-allylmercapto-4-imidazolyl)-2H-1-benzopyran-2-one
SpectraBase Compound ID 2bqBZacmJsn
InChI InChI=1S/C21H16N2O2S/c1-2-12-26-21-22-18(14-23(21)16-9-4-3-5-10-16)17-13-15-8-6-7-11-19(15)25-20(17)24/h2-11,13-14H,1,12H2
InChIKey ACMODWWSDPNYEB-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 DPmPLVqTMVx
Name 3-(1-Phenyl-2-allylmercapto-4-imidazolyl)-2H-1-benzopyran-2-one
Alternate Name(s) 3-[2-(allylsulfanyl)-1-phenyl-1H-imidazol-4-yl]-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2S
InChI InChI=1S/C21H16N2O2S/c1-2-12-26-21-22-18(14-23(21)16-9-4-3-5-10-16)17-13-15-8-6-7-11-19(15)25-20(17)24/h2-11,13-14H,1,12H2
InChIKey ACMODWWSDPNYEB-UHFFFAOYSA-N
Molecular Weight 360.431 g/mol
SMILES C=1(c2nc(SCC=C)[n](c2)-c2ccccc2)C(Oc2c(C1)cccc2)=O
SPLASH splash10-0a4l-0009000000-9efba3918e237594c9b5
Source of Spectrum Y1-41-418-3
Wiley ID 1564913