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.Omega.-5-(phenyl-1,3,4-oxadiazol-2-thiolacetoxy)-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
SpectraBase Compound ID HXrMJOfzyXw
InChI InChI=1S/C20H15N5O4S/c26-16(11-30-20-24-23-18(29-20)15-9-5-2-6-10-15)28-19(25-13-21-12-22-25)17(27)14-7-3-1-4-8-14/h1-10,12-13,19H,11H2
InChIKey KKOLSYVHWVDMFS-UHFFFAOYSA-N
Mol Weight 421.43 g/mol
Molecular Formula C20H15N5O4S
Exact Mass 421.084475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7lYsyhg7av
Name .Omega.-5-(phenyl-1,3,4-oxadiazol-2-thiolacetoxy)-.omega.-(1H-1,2,4-triazol-1-yl)acetophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.084475153 u
Formula C20H15N5O4S
InChI InChI=1S/C20H15N5O4S/c26-16(11-30-20-24-23-18(29-20)15-9-5-2-6-10-15)28-19(25-13-21-12-22-25)17(27)14-7-3-1-4-8-14/h1-10,12-13,19H,11H2
InChIKey KKOLSYVHWVDMFS-UHFFFAOYSA-N
Molecular Weight 421.431 g/mol
SMILES C(N1N=CN=C1)(C(=O)C=1C=CC=CC1)OC(=O)CSC=1OC(C2=CC=CC=C2)=NN1