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1-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(2-furoyl)piperazine
SpectraBase Compound ID 1rqVfjLHUny
InChI InChI=1S/C17H21ClN4O3/c1-12-16(18)13(2)22(19-12)6-5-15(23)20-7-9-21(10-8-20)17(24)14-4-3-11-25-14/h3-4,11H,5-10H2,1-2H3
InChIKey ORHCCWZYHRQCCJ-UHFFFAOYSA-N
Mol Weight 364.83 g/mol
Molecular Formula C17H21ClN4O3
Exact Mass 364.130218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gppK9w2q2
Name 1-[3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(2-furoyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.130218249 u
Formula C17H21ClN4O3
InChI InChI=1S/C17H21ClN4O3/c1-12-16(18)13(2)22(19-12)6-5-15(23)20-7-9-21(10-8-20)17(24)14-4-3-11-25-14/h3-4,11H,5-10H2,1-2H3
InChIKey ORHCCWZYHRQCCJ-UHFFFAOYSA-N
Molecular Weight 364.833 g/mol
SMILES C(N1CCN(CC1)C(CCN1N=C(C)C(=C1C)Cl)=O)(C=1OC=CC1)=O