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2-[5-(1,3-Benzoxazol-2-ylsulfanyl)-1,2,4-triazol-1-yl]-1,3-benzoxazole

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

2-[5-(1,3-Benzoxazol-2-ylsulfanyl)-1,2,4-triazol-1-yl]-1,3-benzoxazole
SpectraBase Compound ID AR3yRBUJpp9
InChI InChI=1S/C16H9N5O2S/c1-3-7-12-10(5-1)19-14(22-12)21-15(17-9-18-21)24-16-20-11-6-2-4-8-13(11)23-16/h1-9H
InChIKey AEQAYHPPQCQTGL-UHFFFAOYSA-N
Mol Weight 335.34 g/mol
Molecular Formula C16H9N5O2S
Exact Mass 335.047696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4C2Pej4x2dw
Name 2-[5-(1,3-Benzoxazol-2-ylsulfanyl)-1,2,4-triazol-1-yl]-1,3-benzoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.047695722 u
Formula C16H9N5O2S
InChI InChI=1S/C16H9N5O2S/c1-3-7-12-10(5-1)19-14(22-12)21-15(17-9-18-21)24-16-20-11-6-2-4-8-13(11)23-16/h1-9H
InChIKey AEQAYHPPQCQTGL-UHFFFAOYSA-N
Molecular Weight 335.341 g/mol
SMILES C1(N2C(SC3=NC4=CC=CC=C4O3)=NC=N2)=NC2=CC=CC=C2O1