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1-{3-[3-(p-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propionyl}-4-(alpha-methylbenzyl)-3-thiosemicarbazide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

1-{3-[3-(p-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propionyl}-4-(alpha-methylbenzyl)-3-thiosemicarbazide
SpectraBase Compound ID HJ6ASUrkQBM
InChI InChI=1S/C20H20ClN5O2S/c1-13(14-5-3-2-4-6-14)22-20(29)25-24-17(27)11-12-18-23-19(26-28-18)15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3,(H,24,27)(H2,22,25,29)
InChIKey GFOIQEHXRQASEZ-UHFFFAOYSA-N
Mol Weight 429.93 g/mol
Molecular Formula C20H20ClN5O2S
Exact Mass 429.102624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6EktxJ9bA9k
Name 1-{3-[3-(p-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propionyl}-4-(alpha-methylbenzyl)-3-thiosemicarbazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.102623776 u
Formula C20H20ClN5O2S
InChI InChI=1S/C20H20ClN5O2S/c1-13(14-5-3-2-4-6-14)22-20(29)25-24-17(27)11-12-18-23-19(26-28-18)15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3,(H,24,27)(H2,22,25,29)
InChIKey GFOIQEHXRQASEZ-UHFFFAOYSA-N
Molecular Weight 429.926 g/mol
SMILES N(C(C1=CC=CC=C1)C)C(NNC(CCC=1ON=C(N1)C=1C=CC(=CC1)Cl)=O)=S