For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-{[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-methylpiperazine
SpectraBase Compound ID 3iD4OXu9ueC
InChI InChI=1S/C16H17Cl2N3O2/c1-10-13(16(22)21-8-6-20(2)7-9-21)15(19-23-10)14-11(17)4-3-5-12(14)18/h3-5H,6-9H2,1-2H3
InChIKey IKDLWGBODWUKBH-UHFFFAOYSA-N
Mol Weight 354.24 g/mol
Molecular Formula C16H17Cl2N3O2
Exact Mass 353.069782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2iBKSkeyveZ
Name 1-{[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-methylpiperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.069782197 u
Formula C16H17Cl2N3O2
InChI InChI=1S/C16H17Cl2N3O2/c1-10-13(16(22)21-8-6-20(2)7-9-21)15(19-23-10)14-11(17)4-3-5-12(14)18/h3-5H,6-9H2,1-2H3
InChIKey IKDLWGBODWUKBH-UHFFFAOYSA-N
Molecular Weight 354.237 g/mol
SMILES C=1(C(=NOC1C)C1=C(Cl)C=CC=C1Cl)C(N1CCN(CC1)C)=O