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4-Piperidinecarboxylic acid, 1-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl]-, methyl ester

View entire compound with spectra: 2 NMR

4-Piperidinecarboxylic acid, 1-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl]-, methyl ester
SpectraBase Compound ID LwybK1fMlu5
InChI InChI=1S/C17H19N3O4S/c1-23-16(22)13-7-9-20(10-8-13)14(21)11-25-17-19-18-15(24-17)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKey CADJJIJMRRACSM-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C17H19N3O4S
Exact Mass 361.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZHdkTxkqcz
Name 4-Piperidinecarboxylic acid, 1-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.109627274 u
Formula C17H19N3O4S
InChI InChI=1S/C17H19N3O4S/c1-23-16(22)13-7-9-20(10-8-13)14(21)11-25-17-19-18-15(24-17)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKey CADJJIJMRRACSM-UHFFFAOYSA-N
Molecular Weight 361.416 g/mol
SMILES C=1C=CC(C2=NN=C(O2)SCC(N2CCC(C(=O)OC)CC2)=O)=CC1