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1-{5-[(4-Tert-butylphenoxy)methyl]-2-furoyl}-4-methylpiperazine
SpectraBase Compound ID 6b5xOGajFmw
InChI InChI=1S/C21H28N2O3/c1-21(2,3)16-5-7-17(8-6-16)25-15-18-9-10-19(26-18)20(24)23-13-11-22(4)12-14-23/h5-10H,11-15H2,1-4H3
InChIKey URYQGEHNTLJGCY-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C21H28N2O3
Exact Mass 356.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J379MHMVfiK
Name 1-{5-[(4-Tert-butylphenoxy)methyl]-2-furoyl}-4-methylpiperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.209992767 u
Formula C21H28N2O3
InChI InChI=1S/C21H28N2O3/c1-21(2,3)16-5-7-17(8-6-16)25-15-18-9-10-19(26-18)20(24)23-13-11-22(4)12-14-23/h5-10H,11-15H2,1-4H3
InChIKey URYQGEHNTLJGCY-UHFFFAOYSA-N
Molecular Weight 356.466 g/mol
SMILES C=1(C(N2CCN(CC2)C)=O)OC(COC=2C=CC(C(C)(C)C)=CC2)=CC1