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benzothiazole, 2-[[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio]-

View entire compound with spectra: 2 NMR

benzothiazole, 2-[[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio]-
SpectraBase Compound ID 8HuH6pyRxGs
InChI InChI=1S/C19H16N2OS2/c1-12-13(2)21(16-9-5-3-7-14(12)16)18(22)11-23-19-20-15-8-4-6-10-17(15)24-19/h3-10H,11H2,1-2H3
InChIKey WWJCFQXNJMCYHJ-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C19H16N2OS2
Exact Mass 352.070405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eCadtbooTn
Name Benzothiazole, 2-[[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.070405490 u
Formula C19H16N2OS2
InChI InChI=1S/C19H16N2OS2/c1-12-13(2)21(16-9-5-3-7-14(12)16)18(22)11-23-19-20-15-8-4-6-10-17(15)24-19/h3-10H,11H2,1-2H3
InChIKey WWJCFQXNJMCYHJ-UHFFFAOYSA-N
Molecular Weight 352.470 g/mol
SMILES C1=CC=2SC(SCC(N3C(=C(C)C4=C3C=CC=C4)C)=O)=NC2C=C1