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3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[3-(1,1-dimethylethyl)-5-isoxazolyl]methyl]thio]-
SpectraBase Compound ID Is5Awar8YlI
InChI InChI=1S/C16H22ClN3O2S/c1-15(2,3)12-7-10(22-19-12)9-23-11-8-18-20(16(4,5)6)14(21)13(11)17/h7-8H,9H2,1-6H3
InChIKey OVAZEQZUJJSMJC-UHFFFAOYSA-N
Mol Weight 355.88 g/mol
Molecular Formula C16H22ClN3O2S
Exact Mass 355.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmYnX2pGLKq
Name 3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[3-(1,1-dimethylethyl)-5-isoxazolyl]methyl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.112125832 u
Formula C16H22ClN3O2S
InChI InChI=1S/C16H22ClN3O2S/c1-15(2,3)12-7-10(22-19-12)9-23-11-8-18-20(16(4,5)6)14(21)13(11)17/h7-8H,9H2,1-6H3
InChIKey OVAZEQZUJJSMJC-UHFFFAOYSA-N
Molecular Weight 355.884 g/mol
SMILES C=1C(=C(C(N(N1)C(C)(C)C)=O)Cl)SCC=1ON=C(C1)C(C)(C)C