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ethanone, 1-(1,2-dimethyl-1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-
SpectraBase Compound ID LbPcorP2w1U
InChI InChI=1S/C21H19N3O3S/c1-13-19(16-6-4-5-7-17(16)24(13)2)18(25)12-28-21-23-22-20(27-21)14-8-10-15(26-3)11-9-14/h4-11H,12H2,1-3H3
InChIKey XQPUMQIKVKXJLU-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C21H19N3O3S
Exact Mass 393.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFauNIjh9zT
Name Ethanone, 1-(1,2-dimethyl-1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.114712655 u
Formula C21H19N3O3S
InChI InChI=1S/C21H19N3O3S/c1-13-19(16-6-4-5-7-17(16)24(13)2)18(25)12-28-21-23-22-20(27-21)14-8-10-15(26-3)11-9-14/h4-11H,12H2,1-3H3
InChIKey XQPUMQIKVKXJLU-UHFFFAOYSA-N
Molecular Weight 393.461 g/mol
SMILES C1(=C(N(C)C2=C1C=CC=C2)C)C(CSC=1OC(C2=CC=C(C=C2)OC)=NN1)=O