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2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-naphthalen-1-yl-ethanone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-naphthalen-1-yl-ethanone
SpectraBase Compound ID DaW0SOifPqG
InChI InChI=1S/C20H13BrN2O2S/c21-15-8-3-7-14(11-15)19-22-23-20(25-19)26-12-18(24)17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2
InChIKey CJTZNHKIJYMXAU-UHFFFAOYSA-N
Mol Weight 425.3 g/mol
Molecular Formula C20H13BrN2O2S
Exact Mass 423.988112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbR9Gt6T6Pg
Name 2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-naphthalen-1-yl-ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.988111839 u
Formula C20H13BrN2O2S
InChI InChI=1S/C20H13BrN2O2S/c21-15-8-3-7-14(11-15)19-22-23-20(25-19)26-12-18(24)17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2
InChIKey CJTZNHKIJYMXAU-UHFFFAOYSA-N
Molecular Weight 425.300 g/mol
SMILES C1=CC=C2C(C(=O)CSC=3OC(=NN3)C3=CC(Br)=CC=C3)=CC=CC2=C1